 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_180_STD_wB97XD-def2SVPDr.in
 Output=23_tartaric_acid_180_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/23_tartaric_acid_180_STD/Gau-119946.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/23_tartaric_acid_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    119947.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=23_tartaric_acid_180_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 17:00:30 2021, MaxMem= 16106127360 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_180_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.590679000000     -0.628285000000     -0.073741000000
  O                                                 1.211559000000     -1.775276000000      0.013291000000
  O                                                 2.868849000000     -0.318264000000      0.051126000000
  C                                                 0.664406000000      0.550522000000     -0.353134000000
  C                                                -0.685188000000      0.564721000000      0.381775000000
  C                                                -1.733895000000     -0.516464000000      0.037464000000
  O                                                -2.859483000000     -0.150461000000     -0.205746000000
  O                                                 1.393505000000      1.714785000000      0.033235000000
  O                                                -1.246997000000      1.824753000000      0.059042000000
  O                                                -1.388076000000     -1.783485000000      0.060653000000
  H                                                 0.467689000000      0.633094000000     -1.429180000000
  H                                                -0.485201000000      0.574611000000      1.460886000000
  H                                                -0.398921000000     -1.894520000000      0.109807000000
  H                                                 2.947109000000      0.655108000000      0.032070000000
  H                                                 0.799648000000      2.471836000000     -0.067292000000
  H                                                -2.181205000000      1.640492000000     -0.153284000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sat Jul 24 17:00:31 2021, MaxMem= 16106127360 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318264    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150461   -0.205746
      8          8           0        1.393505    1.714785    0.033235
      9          8           0       -1.246997    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655108    0.032070
     15          1           0        0.799648    2.471836   -0.067292
     16          1           0       -2.181205    1.640492   -0.153284
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.211154   0.000000
     3  O    1.321145   2.207017   0.000000
     4  C    1.525001   2.417226   2.403702   0.000000
     5  C    2.609661   3.034636   3.676978   1.536781   0.000000
     6  C    3.328312   3.203263   4.607030   2.653841   1.545088
     7  O    4.477687   4.388779   5.736543   3.595955   2.363096
     8  O    2.353784   3.494857   2.512021   1.427016   2.401061
     9  O    3.753323   4.359679   4.640342   2.333884   1.416851
    10  O    3.197738   2.600079   4.502041   3.135521   2.472093
    11  H    2.165502   2.904189   2.976904   1.096992   2.147873
    12  H    2.848037   3.239829   3.746238   2.147753   1.097530
    13  H    2.365491   1.617770   3.628546   2.706143   2.490739
    14  H    1.870346   2.986512   0.976699   2.317338   3.650212
    15  H    3.199456   4.267801   3.475669   1.947163   2.458350
    16  H    4.402361   4.817267   5.420475   3.053764   1.918760
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.208328   0.000000
     8  O    3.841760   4.650179   0.000000
     9  O    2.391408   2.563532   2.642917   0.000000
    10  O    1.313572   2.214221   4.469434   3.610995   0.000000
    11  H    2.884354   3.630540   2.041041   2.564177   3.391654
    12  H    2.185363   2.990085   2.620634   2.026908   2.887292
    13  H    1.920007   3.032438   4.030600   3.815076   0.996580
    14  H    4.825392   5.867027   1.880586   4.354230   4.974071
    15  H    3.919152   4.503871   0.967418   2.150217   4.786467
    16  H    2.211093   1.915809   3.580344   0.975592   3.521142
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.043666   0.000000
    13  H    3.083557   2.815931   0.000000
    14  H    2.878065   3.718702   4.207441   0.000000
    15  H    2.312122   2.754202   4.531335   2.814598   0.000000
    16  H    3.107958   2.572562   3.967627   5.225413   3.095806
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.29D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318265    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150460   -0.205746
      8          8           0        1.393506    1.714785    0.033235
      9          8           0       -1.246996    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655107    0.032070
     15          1           0        0.799649    2.471836   -0.067292
     16          1           0       -2.181204    1.640493   -0.153284
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0975833           1.0678559           0.7247209
 Leave Link  202 at Sat Jul 24 17:00:31 2021, MaxMem= 16106127360 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       580.0099000626 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0079204843 Hartrees.
 Nuclear repulsion after empirical dispersion term =      580.0019795783 Hartrees.
 Leave Link  301 at Sat Jul 24 17:00:32 2021, MaxMem= 16106127360 cpu:               9.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  3.77D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Sat Jul 24 17:00:32 2021, MaxMem= 16106127360 cpu:               4.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 17:00:32 2021, MaxMem= 16106127360 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_180_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 17:00:33 2021, MaxMem= 16106127360 cpu:               4.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105956432 LenY= 16105874195
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -606.806077464652    
 DIIS: error= 4.28D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -606.806077464652     IErMin= 1 ErrMin= 4.28D-03
 ErrMax= 4.28D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-02 BMatP= 2.03D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.28D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.416 Goal=   None    Shift=    0.000
 GapD=    0.416 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.45D-03 MaxDP=1.52D-01              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.45D-03    CP:  9.96D-01
 E= -606.821712265489     Delta-E=       -0.015634800837 Rises=F Damp=F
 DIIS: error= 7.87D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -606.821712265489     IErMin= 2 ErrMin= 7.87D-04
 ErrMax= 7.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.38D-04 BMatP= 2.03D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.87D-03
 Coeff-Com:  0.268D-01 0.973D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.266D-01 0.973D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=7.07D-04 MaxDP=2.45D-02 DE=-1.56D-02 OVMax= 6.98D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.48D-04    CP:  9.91D-01  1.12D+00
 E= -606.822276972828     Delta-E=       -0.000564707339 Rises=F Damp=F
 DIIS: error= 7.22D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -606.822276972828     IErMin= 3 ErrMin= 7.22D-04
 ErrMax= 7.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.47D-04 BMatP= 9.38D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.22D-03
 Coeff-Com: -0.478D-01 0.473D+00 0.575D+00
 Coeff-En:   0.000D+00 0.193D+00 0.807D+00
 Coeff:     -0.474D-01 0.471D+00 0.577D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=1.64D-04 MaxDP=5.59D-03 DE=-5.65D-04 OVMax= 2.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  9.91D-01  1.15D+00  9.99D-01
 E= -606.822756269423     Delta-E=       -0.000479296595 Rises=F Damp=F
 DIIS: error= 1.43D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -606.822756269423     IErMin= 4 ErrMin= 1.43D-04
 ErrMax= 1.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-05 BMatP= 7.47D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.43D-03
 Coeff-Com: -0.196D-01 0.123D+00 0.203D+00 0.693D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.196D-01 0.123D+00 0.203D+00 0.694D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=6.50D-05 MaxDP=3.31D-03 DE=-4.79D-04 OVMax= 8.29D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.48D-05    CP:  9.90D-01  1.15D+00  1.07D+00  1.02D+00
 E= -606.822775766466     Delta-E=       -0.000019497043 Rises=F Damp=F
 DIIS: error= 5.16D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -606.822775766466     IErMin= 5 ErrMin= 5.16D-05
 ErrMax= 5.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-06 BMatP= 2.19D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-02-0.341D-01-0.422D-01 0.182D+00 0.893D+00
 Coeff:      0.186D-02-0.341D-01-0.422D-01 0.182D+00 0.893D+00
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=2.52D-05 MaxDP=8.01D-04 DE=-1.95D-05 OVMax= 3.95D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.18D-05    CP:  9.90D-01  1.16D+00  1.11D+00  1.11D+00  1.03D+00
 E= -606.822778047131     Delta-E=       -0.000002280665 Rises=F Damp=F
 DIIS: error= 1.36D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -606.822778047131     IErMin= 6 ErrMin= 1.36D-05
 ErrMax= 1.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-07 BMatP= 2.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-02-0.188D-01-0.241D-01 0.655D-01 0.406D+00 0.571D+00
 Coeff:      0.138D-02-0.188D-01-0.241D-01 0.655D-01 0.406D+00 0.571D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=3.32D-06 MaxDP=1.08D-04 DE=-2.28D-06 OVMax= 1.31D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.52D-06    CP:  9.90D-01  1.16D+00  1.12D+00  1.11D+00  1.05D+00
                    CP:  1.07D+00
 E= -606.822778199822     Delta-E=       -0.000000152691 Rises=F Damp=F
 DIIS: error= 5.92D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -606.822778199822     IErMin= 7 ErrMin= 5.92D-06
 ErrMax= 5.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-08 BMatP= 2.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-03-0.680D-04 0.140D-03-0.169D-01-0.439D-01 0.250D+00
 Coeff-Com:  0.811D+00
 Coeff:      0.158D-03-0.680D-04 0.140D-03-0.169D-01-0.439D-01 0.250D+00
 Coeff:      0.811D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=1.94D-06 MaxDP=8.37D-05 DE=-1.53D-07 OVMax= 8.13D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.05D-06    CP:  9.90D-01  1.16D+00  1.12D+00  1.11D+00  1.06D+00
                    CP:  1.18D+00  1.08D+00
 E= -606.822778234012     Delta-E=       -0.000000034190 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -606.822778234012     IErMin= 8 ErrMin= 1.20D-06
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-09 BMatP= 2.93D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.744D-04 0.161D-02 0.225D-02-0.107D-01-0.463D-01 0.707D-02
 Coeff-Com:  0.223D+00 0.823D+00
 Coeff:     -0.744D-04 0.161D-02 0.225D-02-0.107D-01-0.463D-01 0.707D-02
 Coeff:      0.223D+00 0.823D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=5.64D-07 MaxDP=1.83D-05 DE=-3.42D-08 OVMax= 1.67D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.01D-07    CP:  9.90D-01  1.16D+00  1.12D+00  1.11D+00  1.06D+00
                    CP:  1.20D+00  1.15D+00  1.18D+00
 E= -606.822778236250     Delta-E=       -0.000000002238 Rises=F Damp=F
 DIIS: error= 5.91D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -606.822778236250     IErMin= 9 ErrMin= 5.91D-07
 ErrMax= 5.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-10 BMatP= 1.76D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.460D-04 0.643D-03 0.882D-03-0.265D-02-0.133D-01-0.245D-01
 Coeff-Com:  0.974D-02 0.312D+00 0.718D+00
 Coeff:     -0.460D-04 0.643D-03 0.882D-03-0.265D-02-0.133D-01-0.245D-01
 Coeff:      0.974D-02 0.312D+00 0.718D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=1.82D-07 MaxDP=1.02D-05 DE=-2.24D-09 OVMax= 5.29D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  9.90D-01  1.16D+00  1.12D+00  1.11D+00  1.06D+00
                    CP:  1.20D+00  1.17D+00  1.27D+00  1.08D+00
 E= -606.822778236522     Delta-E=       -0.000000000272 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -606.822778236522     IErMin=10 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-11 BMatP= 2.36D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.607D-05 0.324D-04 0.267D-04 0.229D-03 0.727D-03-0.821D-02
 Coeff-Com: -0.165D-01 0.320D-02 0.205D+00 0.816D+00
 Coeff:     -0.607D-05 0.324D-04 0.267D-04 0.229D-03 0.727D-03-0.821D-02
 Coeff:     -0.165D-01 0.320D-02 0.205D+00 0.816D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=7.54D-08 MaxDP=4.04D-06 DE=-2.72D-10 OVMax= 1.70D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.12D-08    CP:  9.90D-01  1.16D+00  1.12D+00  1.11D+00  1.06D+00
                    CP:  1.20D+00  1.17D+00  1.30D+00  1.14D+00  1.11D+00
 E= -606.822778236588     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 6.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -606.822778236588     IErMin=11 ErrMin= 6.37D-08
 ErrMax= 6.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-12 BMatP= 1.95D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.353D-05-0.731D-04-0.111D-03 0.478D-03 0.221D-02-0.313D-03
 Coeff-Com: -0.769D-02-0.435D-01-0.104D-01 0.341D+00 0.718D+00
 Coeff:      0.353D-05-0.731D-04-0.111D-03 0.478D-03 0.221D-02-0.313D-03
 Coeff:     -0.769D-02-0.435D-01-0.104D-01 0.341D+00 0.718D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=2.21D-08 MaxDP=9.01D-07 DE=-6.55D-11 OVMax= 7.46D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.33D-08    CP:  9.90D-01  1.16D+00  1.12D+00  1.11D+00  1.06D+00
                    CP:  1.20D+00  1.18D+00  1.30D+00  1.17D+00  1.15D+00
                    CP:  1.08D+00
 E= -606.822778236585     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 1.40D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -606.822778236588     IErMin=12 ErrMin= 1.40D-08
 ErrMax= 1.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-13 BMatP= 3.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.883D-06-0.102D-04-0.144D-04 0.220D-04 0.136D-03 0.633D-03
 Coeff-Com:  0.130D-02-0.518D-02-0.198D-01-0.505D-01 0.805D-01 0.993D+00
 Coeff:      0.883D-06-0.102D-04-0.144D-04 0.220D-04 0.136D-03 0.633D-03
 Coeff:      0.130D-02-0.518D-02-0.198D-01-0.505D-01 0.805D-01 0.993D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=6.20D-09 MaxDP=1.16D-07 DE= 2.96D-12 OVMax= 4.06D-07

 SCF Done:  E(RwB97XD) =  -606.822778237     A.U. after   12 cycles
            NFock= 12  Conv=0.62D-08     -V/T= 2.0089
 KE= 6.014982569074D+02 PE=-2.583216199207D+03 EE= 7.948931844848D+02
 Leave Link  502 at Sat Jul 24 17:01:05 2021, MaxMem= 16106127360 cpu:             509.3 elap:              32.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.28505508D+02

 Leave Link  801 at Sat Jul 24 17:01:05 2021, MaxMem= 16106127360 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 2.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 2.60D-01 7.65D-02.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 4.84D-02 5.86D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 4.70D-03 1.54D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 5.85D-04 4.17D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 3.32D-05 1.08D-03.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 1.10D-06 1.87D-04.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 3.24D-08 2.72D-05.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 7.91D-10 3.76D-06.
     11 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 1.42D-11 3.72D-07.
      7 vectors produced by pass 10 Test12= 1.48D-13 8.33D-09 XBig12= 2.20D-13 5.59D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.863151D+02
      2  0.509480D+00  0.773604D+02
      3  0.241517D+01 -0.927233D+00  0.527447D+02
 Isotropic polarizability for W=    0.088559       72.14 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.115109D+02  0.162379D+02 -0.830924D+01
      2   0.489156D+01 -0.919532D+01  0.551708D+01
      3   0.661931D+01 -0.704258D+01  0.279216D+01
      4   0.173751D+02 -0.349952D+01  0.950907D-01
      5  -0.780515D+01  0.775309D+00 -0.466935D+01
      6  -0.301434D+00  0.126010D+01  0.143634D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.203429D+01 -0.104809D+01 -0.602168D+01
      2  -0.280057D+01 -0.110006D+01 -0.402074D+01
      3  -0.119353D+02 -0.143453D+01 -0.382968D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.680219D+00 -0.425698D+01 -0.214060D+02
      2  -0.504097D+00  0.396525D+00 -0.112887D+02
      3   0.113719D+01  0.839108D+01 -0.107674D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.571460D+00  0.367030D+00  0.195564D+01
      2   0.367030D+00  0.924791D+00  0.100162D+01
      3   0.195564D+01  0.100162D+01  0.197927D+00
 OR G Eigenvalues:    -2.2229     0.3015     2.4726  Iso=    -0.1838
 Eigenvectors:
   (1)   0.747139   0.120860  -0.653587
   (2)  -0.441389   0.825421  -0.351933
   (3)   0.496949   0.551429   0.670050
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1838 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -62.08 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 3.06D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.16D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 4.64D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 7.53D-02 5.45D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 1.69D-03 7.76D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 3.50D-05 1.04D-03.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 5.88D-07 1.05D-04.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 7.16D-09 1.28D-05.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 5.46D-11 8.09D-07.
     30 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 3.29D-13 6.43D-08.
      7 vectors produced by pass  8 Test12= 2.46D-14 2.78D-09 XBig12= 2.36D-15 4.74D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 8.33D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 8.33D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.65D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863151D+02  0.509480D+00  0.241517D+01
      2   0.509480D+00  0.773604D+02 -0.927233D+00
      3   0.241517D+01 -0.927233D+00  0.527447D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.203429D+01 -0.104809D+01 -0.602168D+01
      2  -0.280057D+01 -0.110006D+01 -0.402074D+01
      3  -0.119353D+02 -0.143453D+01 -0.382968D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.115109D+02  0.162379D+02 -0.830924D+01
      2   0.489156D+01 -0.919532D+01  0.551708D+01
      3   0.661931D+01 -0.704258D+01  0.279216D+01
      4   0.173751D+02 -0.349952D+01  0.950907D-01
      5  -0.780515D+01  0.775309D+00 -0.466935D+01
      6  -0.301434D+00  0.126010D+01  0.143634D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.212079D+01 -0.710927D+00 -0.136489D+00  0.261605D+01  0.189796D+01
      2  -0.710927D+00  0.229087D+01  0.120147D+00  0.189796D+01  0.543246D+01
      3  -0.136489D+00  0.120147D+00  0.437786D+00 -0.401944D-01 -0.400384D+00
                 6             7             8             9            10 
      1  -0.401944D-01 -0.856980D+00  0.569113D+00  0.458513D+00 -0.287257D+01
      2  -0.400384D+00  0.569113D+00 -0.509740D+00  0.290278D+00 -0.221965D+01
      3   0.254285D+00  0.458513D+00  0.290278D+00 -0.592980D+00  0.203799D+00
                11            12            13            14            15 
      1  -0.221965D+01  0.203799D+00 -0.562575D+01 -0.694587D+00  0.102136D+00
      2  -0.119898D+01  0.120102D+00 -0.694587D+00 -0.116813D+02  0.409640D+00
      3   0.120102D+00 -0.547486D+00  0.102136D+00  0.409640D+00 -0.197669D+01
                16            17            18            19            20 
      1   0.334745D+00  0.896513D-01 -0.501864D+00  0.925384D+01 -0.296698D+00
      2   0.896513D-01  0.444062D+00 -0.264828D+01 -0.296698D+00  0.611181D+00
      3  -0.501864D+00 -0.264828D+01  0.497310D+00  0.282129D+00  0.645514D-01
                21            22            23            24            25 
      1   0.282129D+00 -0.249926D+01  0.107015D+01  0.204538D-01  0.115842D+01
      2   0.645514D-01  0.107015D+01 -0.356210D+01  0.122216D+00 -0.269456D+00
      3   0.126730D+01  0.204538D-01  0.122216D+00 -0.152211D+00  0.227742D+01
                26            27            28            29            30 
      1  -0.269456D+00  0.227742D+01  0.410093D+01 -0.922111D+00 -0.777198D+00
      2   0.185771D+00  0.195752D+00 -0.922111D+00 -0.171394D+01 -0.448560D+00
      3   0.195752D+00  0.426216D+00 -0.777198D+00 -0.448560D+00  0.143761D+01
                31            32            33            34            35 
      1  -0.134045D+01 -0.244901D+01  0.555741D-01 -0.176164D+01 -0.999935D+00
      2  -0.244901D+01 -0.243402D+01 -0.346672D+00 -0.999935D+00  0.214202D-01
      3   0.555741D-01 -0.346672D+00  0.184823D-01  0.177167D+01 -0.665173D+00
                36            37            38            39            40 
      1   0.177167D+01 -0.455885D+01  0.125424D+01  0.495540D+00 -0.876370D+00
      2  -0.665173D+00  0.125424D+01  0.195246D+01  0.316273D-01  0.242528D+01
      3   0.633799D+01  0.495540D+00  0.316273D-01 -0.135664D+01  0.194274D+00
                41            42            43            44            45 
      1   0.242528D+01  0.194274D+00  0.100391D+01 -0.815212D+00 -0.202584D+01
      2  -0.109754D+01  0.489759D+00 -0.815212D+00  0.400028D+00  0.492454D+00
      3   0.489759D+00  0.598585D+00 -0.202584D+01  0.492454D+00 -0.658703D+01
                46            47            48            49            50 
      1   0.687846D+01 -0.266655D+01  0.107955D+01 -0.406380D+01 -0.142020D+01
      2  -0.266655D+01  0.104395D+01 -0.695858D-01 -0.142020D+01  0.300915D+00
      3   0.107955D+01 -0.695858D-01  0.709211D+00 -0.236333D+00 -0.312434D+00
                51            52            53            54            55 
      1  -0.236333D+00  0.181193D+01  0.106807D+00  0.401289D+00 -0.151123D+02
      2  -0.312434D+00  0.106807D+00  0.338636D+00 -0.579342D+00  0.164409D+01
      3  -0.760149D+00  0.401289D+00 -0.579342D+00  0.886936D+00 -0.136561D+01
                56            57            58            59            60 
      1   0.164409D+01 -0.136561D+01  0.185093D+01 -0.227233D+01  0.124709D+00
      2  -0.388940D+01  0.176218D+00 -0.227233D+01  0.193482D+01 -0.337992D+00
      3   0.176218D+00 -0.241931D+01  0.124709D+00 -0.337992D+00  0.799251D+00
                61            62            63            64            65 
      1  -0.210790D+01  0.175301D-01 -0.346140D+01  0.528937D+01  0.154238D+01
      2   0.175301D-01 -0.817650D+00  0.547488D+00  0.154238D+01  0.470079D+01
      3  -0.346140D+01  0.547488D+00 -0.166954D+01  0.562911D+00  0.208834D-01
                66            67            68            69            70 
      1   0.562911D+00  0.764666D+00  0.379408D+01 -0.170225D+00  0.113097D+01
      2   0.208834D-01  0.379408D+01  0.178911D+01  0.447545D+00  0.461980D+00
      3   0.172903D+00 -0.170225D+00  0.447545D+00 -0.216720D+00  0.663130D+00
                71            72            73            74            75 
      1   0.461980D+00  0.663130D+00  0.267317D+01  0.163155D+01  0.239242D+00
      2   0.126551D+01  0.109482D+01  0.163155D+01  0.145061D+01 -0.239461D+00
      3   0.109482D+01  0.226108D+00  0.239242D+00 -0.239461D+00  0.773205D+00
                76            77            78            79            80 
      1   0.240158D+01 -0.162346D+01 -0.372707D+00  0.659868D+00  0.792351D-01
      2  -0.162346D+01  0.725379D+01  0.567831D-01  0.792351D-01  0.268503D+00
      3  -0.372707D+00  0.567831D-01  0.338722D+00 -0.196079D+00  0.119979D+01
                81            82            83            84            85 
      1  -0.196079D+00 -0.807288D+01 -0.142266D+01  0.376582D-01  0.574808D+00
      2   0.119979D+01 -0.142266D+01 -0.136081D+01  0.130439D+00 -0.367091D+00
      3   0.351012D+00  0.376582D-01  0.130439D+00 -0.110502D+00  0.235352D+00
                86            87            88            89            90 
      1  -0.367091D+00  0.235352D+00 -0.189359D+00  0.163695D+00  0.163438D+00
      2  -0.752684D+01  0.113730D+00  0.163695D+00 -0.185768D+00 -0.192783D+01
      3   0.113730D+00 -0.114775D+01  0.163438D+00 -0.192783D+01  0.125083D+00
                91            92            93            94            95 
      1  -0.160916D+01  0.136211D+00 -0.107530D+01  0.226690D+00  0.412506D+00
      2   0.136211D+00  0.827789D-02  0.543804D-01  0.412506D+00  0.710787D+00
      3  -0.107530D+01  0.543804D-01 -0.128444D+01 -0.769235D-01 -0.113535D+01
                96            97            98            99           100 
      1  -0.769235D-01 -0.147092D+01  0.309399D+00 -0.623354D+00  0.170085D+01
      2  -0.113535D+01  0.309399D+00 -0.188556D+01  0.669465D+00 -0.216246D+00
      3   0.571778D+00 -0.623354D+00  0.669465D+00 -0.782877D+01  0.115594D+01
               101           102           103           104           105 
      1  -0.216246D+00  0.115594D+01 -0.141539D+00 -0.340057D+00 -0.128281D-01
      2  -0.120174D+00 -0.409229D-01 -0.340057D+00  0.318345D+00  0.109748D+01
      3  -0.409229D-01  0.132814D+01 -0.128281D-01  0.109748D+01  0.266671D+00
               106           107           108           109           110 
      1   0.175523D+01  0.243041D+00  0.101606D+01  0.930342D+01 -0.452315D+00
      2   0.243041D+00  0.157555D+01  0.140481D+00 -0.452315D+00  0.133666D+01
      3   0.101606D+01  0.140481D+00  0.815855D+01 -0.109112D+00 -0.808621D-01
               111           112           113           114           115 
      1  -0.109112D+00 -0.267329D+00  0.342880D+00 -0.646092D-01  0.247116D+00
      2  -0.808621D-01  0.342880D+00 -0.165595D+01  0.905119D-01 -0.111007D+00
      3   0.344153D+00 -0.646092D-01  0.905119D-01 -0.503615D+00 -0.315354D-01
               116           117           118           119           120 
      1  -0.111007D+00 -0.315354D-01  0.199678D+01  0.129251D+01  0.821942D-02
      2   0.243069D+00 -0.506782D+00  0.129251D+01  0.771472D+00  0.474867D-01
      3  -0.506782D+00  0.109907D+00  0.821942D-02  0.474867D-01  0.675611D+00
               121           122           123           124           125 
      1   0.381548D+01  0.101389D+01  0.120373D+00 -0.146305D+00  0.333721D-01
      2   0.101389D+01  0.440813D+01 -0.397897D-01  0.333721D-01 -0.544227D-01
      3   0.120373D+00 -0.397897D-01  0.586799D+00  0.640689D+00  0.351981D+00
               126           127           128           129           130 
      1   0.640689D+00 -0.193419D+01  0.782586D+00 -0.105917D+00  0.194444D+01
      2   0.351981D+00  0.782586D+00 -0.249237D+01  0.242282D-02 -0.903166D+00
      3   0.914077D-01 -0.105917D+00  0.242282D-02 -0.248425D+00  0.223081D-01
               131           132           133           134           135 
      1  -0.903166D+00  0.223081D-01 -0.383172D+00  0.464877D-01  0.597708D-01
      2   0.614257D+01 -0.138893D+00  0.464877D-01 -0.532112D+00  0.838458D+00
      3  -0.138893D+00  0.106043D+01  0.597708D-01  0.838458D+00 -0.541183D-01
               136           137           138           139           140 
      1  -0.491610D+01  0.623601D+00 -0.495366D+00  0.619865D+00 -0.886834D+00
      2   0.623601D+00 -0.339061D+01  0.111133D+00 -0.886834D+00 -0.333127D+00
      3  -0.495366D+00  0.111133D+00 -0.117912D+01  0.986399D-01 -0.116156D+00
               141           142           143           144 
      1   0.986399D-01 -0.118591D+01  0.752972D-01 -0.611906D+00
      2  -0.116156D+00  0.752972D-01 -0.757293D+00  0.506447D+00
      3   0.262131D+00 -0.611906D+00  0.506447D+00 -0.478082D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.223061D-01 -0.576881D+00  0.109873D+01 -0.272172D+01  0.101595D+01
      2   0.129158D+01 -0.158297D+01 -0.537748D+01 -0.250578D+01 -0.405386D+00
      3   0.843514D-01 -0.451861D+01  0.825713D+00 -0.842038D+01 -0.611626D+01
                 6             7             8             9            10 
      1   0.809339D+01 -0.923088D+00  0.103492D+02 -0.196747D+01  0.513166D+00
      2   0.389294D+00 -0.137177D+02  0.298599D+01 -0.285149D+01 -0.237290D+00
      3   0.147210D+01  0.281309D+01  0.164273D+01 -0.185301D+01  0.826683D+01
                11            12            13            14            15 
      1   0.308405D+00 -0.719587D+00  0.387483D+00  0.141804D+01 -0.105265D+02
      2   0.263125D+00  0.342721D+01  0.200206D+00  0.596552D+00 -0.178685D+01
      3  -0.692931D+00 -0.703344D+00  0.187089D+02  0.173606D+02 -0.995592D+00
                16            17            18            19            20 
      1   0.141327D+01 -0.556937D+00  0.126471D+01  0.418614D+00 -0.387871D-01
      2  -0.267375D+01 -0.513686D+01  0.113676D+01  0.123784D+01  0.781061D-01
      3  -0.177910D+01 -0.545000D+00  0.519516D+01 -0.234674D+01 -0.844015D+01
                21            22            23            24            25 
      1  -0.224678D+00  0.479136D+00 -0.674877D+00 -0.244975D+01  0.173026D+01
      2   0.927021D+01  0.781738D+00  0.238401D+00 -0.151055D+01  0.497086D+01
      3  -0.181356D+00  0.731179D+00  0.150015D+02 -0.194303D+00 -0.898232D+00
                26            27            28            29            30 
      1   0.136241D+01  0.380247D+00  0.172368D+01  0.632139D+00  0.155699D+01
      2  -0.178680D+01  0.166074D+01 -0.190404D+01  0.100080D+00  0.239437D+01
      3  -0.132007D+01 -0.131455D+01 -0.763296D+00 -0.200858D+01 -0.154848D+00
                31            32            33            34            35 
      1   0.271473D+01  0.156010D+01 -0.167586D+01  0.944200D-01  0.181941D+01
      2   0.135886D+01 -0.172282D+00 -0.237500D+01 -0.317622D+01 -0.100352D+01
      3   0.613428D+01  0.122398D+01 -0.463986D+00  0.917652D-01 -0.104420D+01
                36            37            38            39            40 
      1  -0.420206D+00 -0.184586D+01  0.161500D+01 -0.155553D+01  0.949372D+00
      2   0.281771D+01  0.270354D+00 -0.252696D+00  0.264753D+01 -0.101403D+01
      3   0.114173D+01  0.123517D+01 -0.135969D+01  0.452103D+00  0.683982D+01
                41            42            43            44            45 
      1  -0.545092D+00 -0.153083D+01 -0.487190D-01  0.212206D+01  0.854561D+00
      2  -0.422883D+00  0.201368D+01 -0.330309D+01 -0.537333D+00  0.303974D+01
      3   0.185369D+01  0.330273D+00  0.195487D+00 -0.574690D+00 -0.556085D+00
                46            47            48            49            50 
      1   0.759033D+00 -0.440304D+01 -0.720403D+00 -0.284951D+01 -0.111178D+01
      2   0.276934D+01  0.200234D+01 -0.885908D+01  0.194651D+01  0.803714D+00
      3  -0.632999D+01  0.713755D+01 -0.114100D+01  0.252273D+01 -0.395358D+01
                51            52            53            54            55 
      1   0.599660D+01  0.241717D+01  0.129479D+02  0.106353D+01 -0.101054D+01
      2   0.161356D+01 -0.132946D+02 -0.263104D+01 -0.528663D+01  0.118002D+01
      3   0.128979D+01 -0.109220D+01  0.521082D+01 -0.804960D+00  0.966966D+01
                56            57            58            59            60 
      1   0.207214D+01  0.103490D+00  0.788663D+00 -0.474110D+00 -0.348826D+01
      2  -0.692064D+00  0.142442D+02 -0.790485D+00  0.829900D+00 -0.151711D+01
      3  -0.203311D+02  0.109890D+01 -0.266932D+01  0.899013D+01 -0.983941D+00
                61            62            63            64            65 
      1  -0.270650D+01  0.137829D+01 -0.102155D+01 -0.868026D+00 -0.233959D+00
      2   0.510973D+01  0.110445D+01  0.488796D+01  0.769953D+00  0.501582D+00
      3   0.793173D+00 -0.435352D+01  0.311181D+01  0.116755D+02 -0.109276D+02
                66            67            68            69            70 
      1  -0.247268D+01 -0.705200D+00 -0.250735D+01 -0.401938D+01 -0.131457D+01
      2   0.388693D+01 -0.791318D+00  0.371182D+00  0.186519D+01 -0.144359D+01
      3   0.540041D+00 -0.370004D+01  0.488132D+01 -0.381959D+00  0.243222D+01
                71            72            73            74            75 
      1   0.301815D+01 -0.176010D+01 -0.153139D+01 -0.760731D+00 -0.201023D+00
      2   0.132295D+01  0.968033D+00  0.198801D+00 -0.551195D+00  0.201611D+01
      3  -0.145505D+01 -0.232932D+00  0.135798D+02  0.760871D+01  0.148093D+01
                76            77            78            79            80 
      1  -0.646108D+00  0.193362D+01 -0.617897D+01 -0.649162D-01  0.104956D+01
      2   0.606660D+00  0.167978D+00 -0.212204D+01 -0.295832D+01 -0.105407D+00
      3   0.936874D+01  0.845293D+01 -0.197788D-01  0.228754D+01  0.188089D+01
                81            82            83            84            85 
      1   0.495809D+00  0.378864D+00  0.827403D+00 -0.732560D+00 -0.442970D+00
      2  -0.131658D+00  0.399238D+00 -0.353949D+00  0.367388D+01 -0.332803D+00
      3   0.128417D+01  0.226076D+02 -0.574451D+01 -0.687079D-01  0.579490D+01
                86            87            88            89            90 
      1  -0.854249D+00 -0.771295D+01 -0.172130D+01 -0.235031D+01 -0.265819D+00
      2  -0.204431D+00  0.405614D+00 -0.112105D+01  0.388296D+01  0.433159D+00
      3  -0.839926D+01  0.548124D-01  0.112698D+01 -0.144852D+01 -0.327676D+01
                91            92            93            94            95 
      1   0.737326D-01  0.286580D+00  0.668341D+00  0.435444D+00 -0.703687D+00
      2  -0.190959D+01  0.801316D-01 -0.228780D+00  0.445272D-02 -0.812243D+00
      3  -0.105467D+01 -0.436000D+00 -0.494509D+00  0.865637D+00 -0.479437D+00
                96            97            98            99           100 
      1   0.404921D-01  0.201415D+00  0.302672D+01  0.255351D+01 -0.230602D+00
      2   0.110901D+00 -0.347970D+01  0.441586D+00 -0.438430D+01 -0.198244D+01
      3   0.662202D+00 -0.103509D+01  0.140494D+01 -0.950266D+00  0.651853D+00
               101           102           103           104           105 
      1   0.353675D+00 -0.655390D+00  0.190477D+00 -0.142246D+00  0.736047D-01
      2  -0.165086D+00 -0.263480D+00  0.149737D+00 -0.578694D+00 -0.813679D-01
      3  -0.877499D+00  0.501847D+00  0.672109D+00 -0.222591D+00  0.681101D+00
               106           107           108           109           110 
      1  -0.382057D+00  0.290026D+01 -0.299404D+01 -0.725214D+00 -0.573838D-01
      2  -0.398205D+01  0.491663D-01 -0.456379D+01 -0.845218D+00  0.140409D+00
      3   0.688682D+00  0.795465D+00  0.336424D+00 -0.288428D+02  0.764225D+01
               111           112           113           114           115 
      1   0.104127D+01 -0.552908D-01  0.519736D-01 -0.515574D+00  0.191301D+00
      2  -0.296058D+01  0.141837D+00 -0.273653D+00  0.354129D+00 -0.295998D+01
      3   0.347468D+00  0.367104D+01 -0.201660D+01  0.209171D+00 -0.929546D+00
               116           117           118           119           120 
      1   0.527499D+00  0.148614D+00  0.272635D+00 -0.174132D+00 -0.856624D+00
      2   0.446275D+00  0.491743D-01  0.477039D-01 -0.113567D+00  0.100890D+01
      3   0.507744D+00 -0.219731D+00 -0.426817D+01 -0.152530D+01 -0.135721D+00
               121           122           123           124           125 
      1  -0.393718D-01  0.699116D+00  0.132869D+00  0.209808D+00  0.128819D+01
      2   0.815238D-01  0.941419D-01  0.275446D+01  0.288779D+00  0.155430D+01
      3  -0.203506D+01 -0.200995D+02 -0.472217D-01  0.161966D-01  0.434268D+00
               126           127           128           129           130 
      1   0.503222D-01  0.109353D+00 -0.767983D-01  0.985175D+00 -0.183943D+00
      2   0.600295D-01 -0.485014D+00  0.136153D+00 -0.623474D+00  0.309227D+00
      3  -0.964679D+00 -0.103280D+02  0.602176D+01 -0.227475D+00  0.838277D+01
               131           132           133           134           135 
      1   0.212918D+00 -0.252990D+01 -0.729221D-01 -0.882167D+00  0.115939D+00
      2  -0.295387D+00  0.790192D+00 -0.134042D+01  0.780910D+00  0.145397D+00
      3  -0.116777D+02  0.178525D+00 -0.142079D+01  0.759750D+00 -0.773211D+00
               136           137           138           139           140 
      1   0.198486D+01  0.226370D+00  0.268447D+01  0.491227D+00  0.584698D+00
      2   0.406352D+00 -0.534317D-01  0.211623D+01 -0.146336D+00  0.630890D-01
      3  -0.140926D+02 -0.102313D+02 -0.167688D+01 -0.370512D+01 -0.454313D+01
               141           142           143           144 
      1  -0.816107D-01  0.123209D+01  0.682789D+00  0.103879D+01
      2  -0.904109D+00 -0.811330D-01 -0.162378D+01  0.812324D+00
      3  -0.584349D+00 -0.329020D+01 -0.189557D+01 -0.123105D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.222894D+02  0.378378D+01 -0.243809D+00  0.241152D+01  0.246556D+02
      2   0.126910D+02 -0.609593D+01  0.128356D+01 -0.412807D+00 -0.311958D+02
      3   0.959833D+01  0.231215D+01 -0.103975D+01 -0.199871D+01  0.654022D+01
      4  -0.388420D+01 -0.170733D+00  0.192295D+00 -0.366107D+01  0.874013D+01
      5  -0.914955D+00 -0.523515D+00 -0.840115D+01 -0.101165D+00  0.149815D+00
      6  -0.284426D+00  0.433431D+00 -0.355649D+01  0.887570D+00 -0.114067D+01
                 6             7             8             9            10 
      1  -0.956269D+00 -0.467179D+01 -0.253069D+01 -0.364092D+01 -0.338863D+01
      2  -0.209999D+00  0.343049D+01  0.252620D+01 -0.692686D+01  0.645992D+01
      3   0.116627D+01  0.124130D+01  0.449290D-02  0.105678D+02 -0.307129D+01
      4  -0.454685D+00  0.204133D+01 -0.152550D+01  0.410662D+00 -0.208333D+01
      5  -0.176022D+01  0.376812D+01  0.178895D+01 -0.315598D+01  0.367134D+00
      6  -0.956557D+01 -0.619661D+00  0.221934D+01  0.178720D+01 -0.319575D+00
                11            12            13            14            15 
      1  -0.917928D+01  0.242681D+00 -0.152037D+02 -0.365161D+02  0.654952D-01
      2   0.827776D+01 -0.288726D+00  0.950533D+01  0.530891D+02 -0.724976D-01
      3   0.901519D+00  0.460448D-01  0.569838D+01 -0.165730D+02  0.700242D-02
      4   0.152212D+02 -0.643543D+00  0.142459D+02 -0.257935D+02  0.498858D+00
      5  -0.106887D+00  0.536293D+01  0.709780D-01 -0.123780D+00 -0.364796D+01
      6  -0.352559D-02  0.163485D+01 -0.995031D+00  0.114739D+01  0.160151D+02
                16            17            18            19            20 
      1   0.851060D+00  0.153382D+01 -0.101385D+02  0.656134D+02 -0.165503D+01
      2  -0.112064D+01 -0.135098D+01  0.733812D+01 -0.392789D+02  0.113016D+01
      3   0.269581D+00 -0.182842D+00  0.280041D+01 -0.263346D+02  0.524867D+00
      4  -0.643738D+00  0.376031D+00 -0.683152D+01 -0.357008D+01  0.102080D+02
      5   0.294053D+01 -0.819206D+01  0.113723D+01  0.111475D+01  0.584309D+00
      6   0.113216D+01  0.140245D+02 -0.147262D+01  0.625844D+00 -0.201078D+00
                21            22            23            24            25 
      1   0.127305D+01 -0.106372D+02  0.251690D+01  0.206822D-01  0.418314D+01
      2  -0.799403D+00  0.539859D+01  0.598571D+00  0.221713D+00 -0.322381D+01
      3  -0.473647D+00  0.523865D+01 -0.311547D+01 -0.242395D+00 -0.959325D+00
      4   0.413988D+00  0.113167D+02 -0.171847D+02  0.860059D+00 -0.353004D-01
      5   0.176186D+02 -0.730456D-02  0.669310D+00 -0.127872D+01  0.189387D+02
      6   0.253734D+00  0.379838D+00 -0.236309D+00  0.441559D+01 -0.194880D+01
                26            27            28            29            30 
      1   0.692582D+00  0.100540D+02 -0.794706D+00  0.379736D+01  0.221516D+01
      2   0.152787D+00 -0.104564D+02  0.894280D+00 -0.915034D+01  0.219797D+01
      3  -0.845370D+00  0.402415D+00 -0.995738D-01  0.535298D+01 -0.441313D+01
      4   0.792869D+00 -0.169874D+01 -0.455496D+01 -0.505806D+01 -0.138363D+01
      5   0.541834D+00  0.311080D+01 -0.213563D+01 -0.352596D-01 -0.422704D+00
      6   0.348181D+01 -0.530614D+00  0.918216D+00 -0.170799D+01 -0.625725D+00
                31            32            33            34            35 
      1  -0.275270D+01 -0.139165D+01  0.108880D+01  0.968534D+00 -0.236282D+01
      2  -0.253188D+01 -0.290883D+01 -0.680298D+00  0.173468D+01 -0.407879D+01
      3   0.528458D+01  0.430048D+01 -0.408505D+00 -0.270322D+01  0.644161D+01
      4  -0.957467D+01 -0.118482D+02  0.434965D+00 -0.584862D+01 -0.126142D+00
      5  -0.303027D+00 -0.577160D+00 -0.281803D+01  0.159722D+01  0.740445D+00
      6   0.226679D+00 -0.129474D+00 -0.250888D+01  0.287810D+01 -0.231252D+00
                36            37            38            39            40 
      1   0.100155D+02  0.238155D+01 -0.471352D+01  0.339976D+01  0.342922D+01
      2   0.775280D+01 -0.180204D+01  0.748743D+01  0.150851D+01  0.525684D+00
      3  -0.177683D+02 -0.579511D+00 -0.277390D+01 -0.490827D+01 -0.395490D+01
      4   0.157021D+01  0.230286D+01 -0.434810D+01  0.157906D+00 -0.846316D+01
      5   0.267787D+01  0.130050D+00 -0.602973D+00  0.782257D-01  0.610570D+00
      6   0.789304D+01 -0.115199D+01 -0.123054D+00  0.209277D+01  0.168994D+01
                41            42            43            44            45 
      1  -0.329156D+00 -0.128701D+01  0.527633D+01  0.121675D+01  0.111442D+02
      2  -0.591892D+01 -0.120521D+01  0.800143D+00  0.162761D+01  0.814278D+01
      3   0.624808D+01  0.249222D+01 -0.607647D+01 -0.284436D+01 -0.192869D+02
      4   0.585082D+01  0.557186D+00  0.297222D+01 -0.995256D+00 -0.317266D+01
      5  -0.397855D+00  0.257692D+01  0.127178D+01 -0.154280D+01  0.269221D+01
      6  -0.381062D+00 -0.201261D+01 -0.307104D+01  0.162054D+01 -0.717793D+01
                46            47            48            49            50 
      1  -0.487558D+02  0.443283D+01 -0.235752D+01  0.160710D+02  0.152001D+02
      2   0.308333D+02  0.101298D+00  0.538664D+01 -0.111533D+02 -0.185755D+02
      3   0.179225D+02 -0.453413D+01 -0.302912D+01 -0.491772D+01  0.337544D+01
      4   0.592322D+01 -0.123219D+02  0.899959D-01  0.322041D+01  0.252163D+01
      5  -0.579390D+01  0.106623D+01 -0.133406D+02  0.213675D+01  0.145429D+01
      6  -0.377333D+00 -0.557327D+00  0.294893D+01  0.178508D+01  0.156039D+01
                51            52            53            54            55 
      1   0.711521D+00 -0.107232D+02  0.175878D+01 -0.847079D+01  0.989599D+02
      2  -0.386240D+00  0.795950D+01  0.221219D+00 -0.254992D+01 -0.594085D+02
      3  -0.325281D+00  0.276370D+01 -0.198000D+01  0.110207D+02 -0.395513D+02
      4   0.176383D+01  0.588800D+00 -0.295454D+01  0.131023D+01 -0.240839D+01
      5   0.481667D+01  0.103637D+01  0.516017D+00 -0.699535D+01  0.814175D+01
      6  -0.860876D+01 -0.713492D+00  0.228040D+01 -0.569981D+00  0.215511D+00
                56            57            58            59            60 
      1  -0.894210D+01  0.555975D+01 -0.953669D+01  0.790467D+01 -0.559702D+00
      2   0.686117D+01 -0.561853D+01  0.723382D+01 -0.860741D+00  0.719135D+00
      3   0.208093D+01  0.587774D-01  0.230286D+01 -0.704393D+01 -0.159434D+00
      4   0.245827D+02 -0.491677D+00  0.177823D+02 -0.612065D+01  0.212396D+01
      5  -0.132218D+01  0.245686D+02 -0.967771D+00  0.184030D+01 -0.381027D+01
      6   0.547745D+00 -0.367105D+00  0.930964D+00  0.268383D+00  0.559395D+01
                61            62            63            64            65 
      1   0.925567D+01 -0.137532D+01  0.152904D+02  0.137759D+02 -0.106259D+02
      2  -0.806672D+01  0.564796D+00 -0.145934D+02 -0.558760D+01  0.197405D+02
      3  -0.118895D+01  0.810523D+00 -0.696998D+00 -0.818834D+01 -0.911460D+01
      4  -0.100222D+01  0.414401D+01 -0.537290D+00  0.155526D+02  0.176894D+02
      5   0.254367D+02 -0.222406D+01  0.108410D+02  0.132854D+01  0.119676D+00
      6   0.244939D+01  0.405665D+01  0.102258D+01  0.145110D+01 -0.426258D+00
                66            67            68            69            70 
      1   0.542125D+00 -0.633646D+01  0.345271D+01 -0.289155D+01  0.248659D+01
      2  -0.182555D+01  0.121508D+02  0.349963D+01  0.827089D+00 -0.965251D+00
      3   0.128342D+01 -0.581438D+01 -0.695235D+01  0.206447D+01 -0.152134D+01
      4   0.151084D+01  0.169847D+02  0.186746D+02  0.944401D+00  0.478852D+01
      5   0.715828D+01 -0.612699D-01  0.109724D+01  0.345757D+01  0.625315D+01
      6   0.347283D+01 -0.948724D+00  0.259877D+01  0.710348D+01  0.381929D+01
                71            72            73            74            75 
      1  -0.215833D+01 -0.325240D+01 -0.538208D+01 -0.277533D+01 -0.213346D+01
      2   0.555252D+01 -0.147720D+01  0.591782D+01  0.719547D+00 -0.684989D+00
      3  -0.339418D+01  0.472960D+01 -0.535738D+00  0.205578D+01  0.281845D+01
      4   0.394499D+01  0.470178D+01  0.369173D+01  0.188053D+01  0.181665D+01
      5   0.336711D+01  0.148777D+01 -0.159018D+01  0.583756D+00  0.439500D+01
      6   0.717739D+01  0.241181D+01  0.196271D+01 -0.618700D+00  0.139936D+00
                76            77            78            79            80 
      1  -0.208331D+01 -0.191018D+02  0.177226D+01 -0.105496D+01 -0.104570D+01
      2  -0.258361D+01  0.326049D+02  0.925068D+00  0.108353D+01 -0.893268D+00
      3   0.466692D+01 -0.135030D+02 -0.269733D+01 -0.285669D-01  0.193897D+01
      4   0.154867D+02 -0.237895D+02 -0.717365D+00  0.129254D+01 -0.251091D+00
      5   0.103475D+00 -0.660932D+00 -0.442507D+01  0.374080D+01 -0.300226D+01
      6  -0.168600D+01  0.613596D+00  0.101636D+02 -0.142742D+01  0.822300D+01
                81            82            83            84            85 
      1  -0.585658D+01  0.105158D+02  0.365326D+01  0.341757D+00 -0.184876D+01
      2   0.151952D+01 -0.302910D+01 -0.158979D+01 -0.577414D+00  0.220691D+01
      3   0.433706D+01 -0.748673D+01 -0.206347D+01  0.235657D+00 -0.358145D+00
      4  -0.316082D+01  0.199502D+02  0.201773D+02 -0.743132D+00  0.859880D+01
      5  -0.315473D+00  0.190988D+00 -0.732383D+00  0.684917D+01 -0.118648D+01
      6   0.405453D+00  0.292688D+00 -0.267016D+00  0.143297D+00 -0.158882D+01
                86            87            88            89            90 
      1  -0.249411D+02  0.463190D+00  0.963403D-01 -0.618769D+00 -0.812463D+01
      2   0.382448D+02 -0.335549D+00 -0.109836D+01  0.233493D+00  0.478235D+01
      3  -0.133037D+02 -0.127641D+00  0.100202D+01  0.385276D+00  0.334228D+01
      4   0.191422D+02 -0.135583D+01 -0.246210D+00  0.248874D+00  0.613224D+01
      5  -0.188815D+01  0.172297D+01  0.399121D+01  0.657907D+01 -0.312897D+00
      6  -0.225261D+01  0.141001D+02 -0.266331D+00  0.125980D+02 -0.744403D+00
                91            92            93            94            95 
      1  -0.186146D+01 -0.788382D-01 -0.312648D+01 -0.128568D+00 -0.320288D+01
      2  -0.272648D+01  0.427021D+00 -0.105067D+01 -0.942029D-01  0.364268D+00
      3   0.458794D+01 -0.348183D+00  0.417715D+01  0.222771D+00  0.283861D+01
      4  -0.764483D+00  0.181001D+01 -0.142128D+01  0.256223D+01  0.116546D+01
      5   0.270479D+00 -0.646784D+00  0.466999D+01 -0.183200D+00 -0.622031D+00
      6  -0.182012D+01  0.772514D+00 -0.171823D+01  0.332294D+00 -0.207201D+01
                96            97            98            99           100 
      1   0.180568D+01 -0.364201D+01  0.332573D+01 -0.188091D+02 -0.245878D+01
      2  -0.131381D+01 -0.873571D+00 -0.106513D+01 -0.143776D+02 -0.251584D+01
      3  -0.491877D+00  0.451558D+01 -0.226061D+01  0.331867D+02  0.497462D+01
      4  -0.127926D+01 -0.936799D+00 -0.265713D+01 -0.103668D-01  0.118386D+01
      5   0.425073D+00  0.381098D+01  0.308044D+00 -0.562892D+01  0.288489D+00
      6   0.612448D+01 -0.897158D+00  0.532752D+01 -0.991622D+01  0.155040D+01
               101           102           103           104           105 
      1   0.537120D+00 -0.339914D+01  0.552165D+00 -0.284697D+01 -0.118039D+01
      2  -0.427873D+00 -0.102751D+01 -0.170678D-01 -0.172404D+00  0.190812D+01
      3  -0.109246D+00  0.442665D+01 -0.535097D+00  0.301938D+01 -0.727732D+00
      4   0.218612D+01  0.130030D+01  0.232339D+01 -0.242536D+00 -0.125036D+01
      5   0.350461D+00  0.496178D+01 -0.151019D+00 -0.507113D+00 -0.158008D+00
      6   0.624701D+00  0.141766D+01  0.653449D+00  0.134723D+01  0.593146D+01
               106           107           108           109           110 
      1  -0.536511D+01 -0.211463D+01 -0.205181D+02 -0.121030D+02  0.374531D+01
      2  -0.912040D+00  0.224772D+01 -0.147536D+02  0.615352D+01 -0.455458D+01
      3   0.627715D+01 -0.133095D+00  0.352717D+02  0.594951D+01  0.809265D+00
      4   0.132716D+01 -0.230887D+01  0.860870D+00 -0.171092D+02 -0.126053D+02
      5   0.390535D+01 -0.557296D-01 -0.554637D+01 -0.485170D+00  0.411944D+00
      6   0.120886D+01  0.481165D+01  0.876720D+01 -0.435912D+00  0.347013D+00
               111           112           113           114           115 
      1  -0.445313D+00  0.158351D+01 -0.542646D+01  0.358699D+00  0.113357D+00
      2   0.517632D-02 -0.148543D+01  0.751462D+01 -0.309394D+00  0.129553D-01
      3   0.440137D+00 -0.980827D-01 -0.208816D+01 -0.493055D-01 -0.126312D+00
      4   0.444605D+00  0.471254D+00  0.136271D+01  0.875439D-01 -0.288097D+00
      5  -0.546001D+01  0.417273D-01 -0.259829D+00  0.599714D+00  0.329845D+00
      6  -0.129977D+01  0.256078D+00 -0.437615D+00  0.156079D+01 -0.158581D+00
               116           117           118           119           120 
      1   0.731236D+00 -0.202955D+01  0.972875D+01  0.660923D+01  0.493675D-01
      2  -0.685722D+00  0.555009D+00 -0.428936D+01 -0.296421D+01  0.887963D-01
      3  -0.455144D-01  0.147454D+01 -0.543939D+01 -0.364501D+01 -0.138164D+00
      4   0.169354D+00  0.355751D+00  0.770338D+01  0.581276D+01  0.312436D-01
      5   0.654702D+00  0.208209D+00 -0.169876D+00  0.810847D-01  0.244296D+01
      6   0.241803D+01 -0.413058D+00  0.806150D-03  0.395988D-01  0.128241D+01
               121           122           123           124           125 
      1   0.206883D+02  0.475110D+01  0.634407D+00 -0.767533D+00  0.712258D-01
      2  -0.120429D+02 -0.166059D+01 -0.566891D+00  0.390159D+00 -0.249443D+00
      3  -0.864541D+01 -0.309051D+01 -0.675159D-01  0.377374D+00  0.178217D+00
      4   0.709133D+01  0.220958D+02 -0.100945D+00 -0.331716D-01 -0.193107D+00
      5   0.559503D+00 -0.276077D+00  0.439445D+01  0.415904D+01  0.251670D+01
      6   0.937369D-01  0.379050D+00 -0.237806D+00  0.681366D+00  0.150146D+01
               126           127           128           129           130 
      1   0.161763D+01 -0.438451D+01  0.932396D+01 -0.696237D+00  0.711458D+01
      2  -0.178922D+01  0.465557D+01 -0.126047D+02  0.295016D+00 -0.669537D+01
      3   0.171585D+00 -0.271058D+00  0.328070D+01  0.401221D+00 -0.419217D+00
      4   0.258245D+01 -0.448043D+01 -0.108291D+01 -0.359476D+00  0.350134D+01
      5   0.259237D+00 -0.175493D+00  0.106528D+00 -0.999086D+00  0.735059D-01
      6   0.720736D-01 -0.873038D+00  0.105602D+01 -0.128421D+01  0.120126D+00
               131           132           133           134           135 
      1  -0.207270D+02  0.699519D+00 -0.448002D+00  0.189156D+01 -0.319057D+01
      2   0.310199D+02 -0.928304D+00  0.504242D+00 -0.223142D+01  0.310073D+01
      3  -0.102929D+02  0.228785D+00 -0.562393D-01  0.339856D+00  0.898421D-01
      4   0.710230D+01 -0.312739D+00 -0.698592D+00 -0.661337D+00  0.686378D+00
      5  -0.635923D+00  0.168300D+01  0.903611D+00  0.875566D+00  0.338061D+00
      6  -0.176660D+01  0.433469D+01 -0.394012D+00  0.530652D+01 -0.588423D+00
               136           137           138           139           140 
      1   0.155298D+02  0.276643D+01  0.199853D+01 -0.366251D+01  0.442854D+01
      2  -0.651104D+01 -0.769713D+01 -0.502987D+00  0.674657D+00 -0.249580D+01
      3  -0.901874D+01  0.493070D+01 -0.149554D+01  0.298785D+01 -0.193274D+01
      4  -0.169433D+02  0.133794D+02 -0.184231D+01  0.442895D+01 -0.116694D+01
      5   0.184819D+01 -0.261242D+00  0.326272D+01 -0.635275D+00  0.737896D+00
      6  -0.175488D+01  0.839289D-01 -0.453489D+01  0.277990D+00 -0.425676D+00
               141           142           143           144 
      1  -0.127184D+00  0.183147D+01  0.160273D+01  0.746289D+00
      2   0.170757D+00 -0.126541D+01 -0.195344D+01 -0.143023D+01
      3  -0.435733D-01 -0.566064D+00  0.350710D+00  0.683939D+00
      4   0.615553D+00 -0.327780D+01  0.199684D+01 -0.319918D+01
      5  -0.177810D+01  0.423171D+01 -0.236205D+01  0.161777D+01
      6   0.335145D+00 -0.216319D+01  0.254488D+01 -0.187333D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 17:07:31 2021, MaxMem= 16106127360 cpu:            6158.3 elap:             385.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.35435 -19.32513 -19.32046 -19.30779 -19.29909
 Alpha  occ. eigenvalues --  -19.27819 -10.48970 -10.46248 -10.41915 -10.40637
 Alpha  occ. eigenvalues --   -1.25616  -1.22372  -1.18586  -1.16591  -1.15385
 Alpha  occ. eigenvalues --   -1.12543  -0.90357  -0.81102  -0.76049  -0.72510
 Alpha  occ. eigenvalues --   -0.70871  -0.68159  -0.65335  -0.61864  -0.59912
 Alpha  occ. eigenvalues --   -0.59465  -0.56845  -0.56006  -0.54226  -0.53110
 Alpha  occ. eigenvalues --   -0.51861  -0.50949  -0.46435  -0.46154  -0.44245
 Alpha  occ. eigenvalues --   -0.42834  -0.41539  -0.40122  -0.39451
 Alpha virt. eigenvalues --    0.02109   0.04766   0.06357   0.08355   0.09091
 Alpha virt. eigenvalues --    0.09668   0.12318   0.13293   0.13848   0.14777
 Alpha virt. eigenvalues --    0.14928   0.16110   0.17096   0.17500   0.18247
 Alpha virt. eigenvalues --    0.18902   0.19952   0.20404   0.20941   0.21551
 Alpha virt. eigenvalues --    0.21920   0.22937   0.23928   0.25158   0.25918
 Alpha virt. eigenvalues --    0.26691   0.27109   0.28245   0.28480   0.29977
 Alpha virt. eigenvalues --    0.30627   0.31183   0.32145   0.32301   0.32960
 Alpha virt. eigenvalues --    0.33474   0.34735   0.35720   0.35971   0.36687
 Alpha virt. eigenvalues --    0.37637   0.38080   0.38971   0.39330   0.40400
 Alpha virt. eigenvalues --    0.41024   0.41137   0.41964   0.42357   0.43146
 Alpha virt. eigenvalues --    0.43612   0.44705   0.45111   0.46703   0.48739
 Alpha virt. eigenvalues --    0.49643   0.50387   0.50981   0.52222   0.52977
 Alpha virt. eigenvalues --    0.53310   0.53755   0.54569   0.54913   0.55777
 Alpha virt. eigenvalues --    0.56363   0.57002   0.57667   0.59088   0.59780
 Alpha virt. eigenvalues --    0.60062   0.60802   0.61011   0.61918   0.62919
 Alpha virt. eigenvalues --    0.64454   0.64623   0.65638   0.66008   0.66948
 Alpha virt. eigenvalues --    0.68715   0.69373   0.70135   0.71455   0.71720
 Alpha virt. eigenvalues --    0.72279   0.72649   0.73355   0.73975   0.75634
 Alpha virt. eigenvalues --    0.76030   0.76815   0.77225   0.77861   0.79101
 Alpha virt. eigenvalues --    0.79443   0.80070   0.80852   0.83250   0.83362
 Alpha virt. eigenvalues --    0.84481   0.84674   0.87932   0.88271   0.89677
 Alpha virt. eigenvalues --    0.90761   0.91670   0.92113   0.94418   0.96461
 Alpha virt. eigenvalues --    0.99284   1.01128   1.02987   1.04791   1.05699
 Alpha virt. eigenvalues --    1.07339   1.08303   1.09922   1.12156   1.13036
 Alpha virt. eigenvalues --    1.14459   1.18023   1.18897   1.20452   1.21444
 Alpha virt. eigenvalues --    1.23456   1.26910   1.28319   1.29687   1.30811
 Alpha virt. eigenvalues --    1.34451   1.36528   1.38190   1.43116   1.46435
 Alpha virt. eigenvalues --    1.52253   1.54522   1.57211   1.58778   1.59678
 Alpha virt. eigenvalues --    1.62074   1.64742   1.65822   1.67999   1.68313
 Alpha virt. eigenvalues --    1.71769   1.74878   1.76479   1.78029   1.79171
 Alpha virt. eigenvalues --    1.82330   1.83356   1.84847   1.85971   1.89166
 Alpha virt. eigenvalues --    1.90365   1.91890   1.92340   1.95652   1.96622
 Alpha virt. eigenvalues --    1.97957   1.98236   2.00214   2.02795   2.05491
 Alpha virt. eigenvalues --    2.07514   2.07913   2.08698   2.10311   2.12375
 Alpha virt. eigenvalues --    2.13254   2.14732   2.16058   2.18667   2.19077
 Alpha virt. eigenvalues --    2.22083   2.25066   2.27946   2.29761   2.30431
 Alpha virt. eigenvalues --    2.33039   2.36327   2.37299   2.42511   2.43854
 Alpha virt. eigenvalues --    2.46366   2.47987   2.50548   2.52748   2.55877
 Alpha virt. eigenvalues --    2.61391   2.64426   2.67432   2.73586   2.82392
 Alpha virt. eigenvalues --    2.92205   2.94348   2.99259   2.99515   3.01171
 Alpha virt. eigenvalues --    3.03777   3.04801   3.07538   3.08759   3.11109
 Alpha virt. eigenvalues --    3.13276   3.14651   3.15145   3.16411   3.21460
 Alpha virt. eigenvalues --    3.23118   3.27438   3.30605   3.32309   3.33596
 Alpha virt. eigenvalues --    3.52007   3.53662   3.57489   3.63822   3.65898
 Alpha virt. eigenvalues --    3.70750   3.87641   3.89426   4.01314   4.02509
 Alpha virt. eigenvalues --    4.05092   4.13041
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.855163  -0.227296  -0.140129  -0.510963  -0.075933  -0.032355
     2  O   -0.227296   8.687252   0.084061   0.193870  -0.007668   0.016745
     3  O   -0.140129   0.084061   8.246732   0.058861   0.000600  -0.004938
     4  C   -0.510963   0.193870   0.058861   5.709424   0.394796  -0.152494
     5  C   -0.075933  -0.007668   0.000600   0.394796   5.589303  -0.492014
     6  C   -0.032355   0.016745  -0.004938  -0.152494  -0.492014   5.812910
     7  O    0.006893  -0.006609   0.000262   0.013725   0.115065   0.054738
     8  O   -0.004349   0.008085  -0.051653  -0.087758  -0.174918   0.043866
     9  O    0.003025   0.003799  -0.001206  -0.180623   0.024784   0.033781
    10  O    0.008167  -0.076643  -0.003919  -0.001767   0.018626  -0.043268
    11  H    0.066111  -0.027566   0.003550   0.333266   0.087297  -0.058741
    12  H    0.013258  -0.009641  -0.004606   0.113290   0.417554  -0.078462
    13  H    0.085493  -0.093085  -0.019492  -0.031469  -0.029064   0.088909
    14  H    0.163534  -0.045620   0.163455  -0.039651   0.013275   0.000431
    15  H    0.002479   0.000090   0.001529   0.062477   0.022785  -0.002573
    16  H   -0.003151   0.001371  -0.000040   0.026537   0.069996  -0.071931
               7          8          9         10         11         12
     1  C    0.006893  -0.004349   0.003025   0.008167   0.066111   0.013258
     2  O   -0.006609   0.008085   0.003799  -0.076643  -0.027566  -0.009641
     3  O    0.000262  -0.051653  -0.001206  -0.003919   0.003550  -0.004606
     4  C    0.013725  -0.087758  -0.180623  -0.001767   0.333266   0.113290
     5  C    0.115065  -0.174918   0.024784   0.018626   0.087297   0.417554
     6  C    0.054738   0.043866   0.033781  -0.043268  -0.058741  -0.078462
     7  O    8.429012  -0.007038  -0.086521   0.000726   0.008596   0.021317
     8  O   -0.007038   8.353537   0.062604  -0.003238  -0.067627  -0.043314
     9  O   -0.086521   0.062604   8.436933  -0.008175  -0.042892  -0.145282
    10  O    0.000726  -0.003238  -0.008175   8.247993   0.011268  -0.004426
    11  H    0.008596  -0.067627  -0.042892   0.011268   0.659498   0.029545
    12  H    0.021317  -0.043314  -0.145282  -0.004426   0.029545   0.682782
    13  H   -0.008274  -0.002489  -0.005476   0.249154   0.005995   0.008139
    14  H   -0.000158   0.027521  -0.001540   0.000471   0.002872   0.001659
    15  H    0.001036   0.235948  -0.010947  -0.000328  -0.000093   0.009957
    16  H    0.057739  -0.005127   0.205979  -0.001505   0.003230   0.027527
              13         14         15         16
     1  C    0.085493   0.163534   0.002479  -0.003151
     2  O   -0.093085  -0.045620   0.000090   0.001371
     3  O   -0.019492   0.163455   0.001529  -0.000040
     4  C   -0.031469  -0.039651   0.062477   0.026537
     5  C   -0.029064   0.013275   0.022785   0.069996
     6  C    0.088909   0.000431  -0.002573  -0.071931
     7  O   -0.008274  -0.000158   0.001036   0.057739
     8  O   -0.002489   0.027521   0.235948  -0.005127
     9  O   -0.005476  -0.001540  -0.010947   0.205979
    10  O    0.249154   0.000471  -0.000328  -0.001505
    11  H    0.005995   0.002872  -0.000093   0.003230
    12  H    0.008139   0.001659   0.009957   0.027527
    13  H    0.566020   0.002990  -0.000098   0.001494
    14  H    0.002990   0.539315   0.003167   0.000162
    15  H   -0.000098   0.003167   0.548642   0.003878
    16  H    0.001494   0.000162   0.003878   0.500949
 Mulliken charges:
               1
     1  C    0.790051
     2  O   -0.501146
     3  O   -0.333066
     4  C    0.098479
     5  C    0.025517
     6  C    0.885396
     7  O   -0.600510
     8  O   -0.284050
     9  O   -0.288244
    10  O   -0.393135
    11  H   -0.014308
    12  H   -0.039298
    13  H    0.181253
    14  H    0.168117
    15  H    0.122052
    16  H    0.182891
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.790051
     2  O   -0.501146
     3  O   -0.164949
     4  C    0.084171
     5  C   -0.013781
     6  C    0.885396
     7  O   -0.600510
     8  O   -0.161998
     9  O   -0.105352
    10  O   -0.211882
 Electronic spatial extent (au):  <R**2>=           1455.5727
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.5991    Y=              2.9896    Z=             -0.2303  Tot=              3.9681
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.0171   YY=            -61.7847   ZZ=            -54.9323
   XY=              1.6645   XZ=             -2.1708   YZ=             -1.1938
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.4391   YY=             -0.2066   ZZ=              6.6457
   XY=              1.6645   XZ=             -2.1708   YZ=             -1.1938
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             32.0268  YYY=             17.1893  ZZZ=             -0.2098  XYY=              1.9029
  XXY=             23.5067  XXZ=              1.5020  XZZ=              0.6824  YZZ=             -0.0634
  YYZ=             -2.3472  XYZ=              1.5702
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1161.8018 YYYY=           -549.5191 ZZZZ=            -73.3051 XXXY=              6.8832
 XXXZ=             -8.7510 YYYX=             10.9360 YYYZ=             -6.1611 ZZZX=             -0.8790
 ZZZY=             -0.6410 XXYY=           -284.6700 XXZZ=           -192.2717 YYZZ=           -109.2938
 XXYZ=             -2.9104 YYXZ=              2.2917 ZZXY=             -0.3739
 N-N= 5.800019795783D+02 E-N=-2.583216199116D+03  KE= 6.014982569074D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 17:07:31 2021, MaxMem= 16106127360 cpu:               3.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.01689278D+00 1.18412649D+00-9.38804386D-02
 Polarizability= 8.17975500D+01 4.85168438D-01 7.24905273D+01
                 2.31743696D+00-9.28608424D-01 4.74490445D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2076   -1.2076        0.2557    0.2547
 2      1.2076    1.2076        0.4630    0.4636       -4.4792   -4.4773
 3     -0.2557   -0.2547       16.7895   16.7852       -0.4632   -0.4636
 4     -0.4630   -0.4636       -0.0000    0.0000       -0.2562   -0.2547
 5    -12.3103  -12.3078        0.2562    0.2547       -1.2068   -1.2076
 6      0.4632    0.4636        1.2068    1.2076       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.6228    3.6228        0.7642    0.7642
 2     -1.3908   -1.3908        0.0000    0.0000        0.7642    0.7642
 3     -1.3908   -1.3908        3.6228    3.6228       -0.0000    0.0000
 4      3.6228    3.6228        1.3908    1.3908      -13.4320  -13.4320
 5     -0.7642   -0.7642       50.3555   50.3555       -1.3908   -1.3908
 6    -36.9235  -36.9235        0.7642    0.7642       -3.6228   -3.6228
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1755    0.0000        5.1916    4.8303       -0.7411   -1.0190
 2     -5.0938   -4.8303       -1.8578   -1.8545       17.2601   17.9094
 3      0.9070    1.0190      -66.9656  -67.1407        2.0408    1.8545
 4      1.7279    1.8545        0.2021    0.0000        1.3096    1.0190
 5     49.1093   49.2314       -1.0207   -1.0190        4.7316    4.8303
 6     -1.8083   -1.8545       -4.8185   -4.8303        0.0145    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1182    0.0000      -18.0174  -17.9569        3.6265    3.8487
 2     18.0175   17.9569       -5.2956   -5.4553        6.6707    6.2687
 3     -4.1967   -3.8487       -4.0462   -4.8345        5.9472    5.4553
 4      5.5361    5.4553       -0.0273    0.0000       -4.0802   -3.8487
 5     -1.5658   -1.4342        3.8782    3.8487      -18.4030  -17.9569
 6     -5.4302   -5.4553       18.1488   17.9569        0.3090    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.8779   -1.7278       -2.7041   -3.0117       -8.7318   -9.0652
 2      1.1359    1.1698      -23.2425  -23.2805       -9.2257   -9.0652
 3      1.1072    1.1698       -2.8116   -3.0117      -13.7775  -13.8263
 4     20.1989   20.2688       -3.0444   -2.8976        0.4766    0.5674
 5     -5.0791   -4.7611       -2.4669   -3.5139        3.3347    2.8976
 6      2.7650    2.9465        4.6810    4.7611      -21.1445  -20.2688
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.7795   -6.4224   -4.2787    0.0006    0.0006    0.0011
 Low frequencies ---   52.7945   70.0663   99.8989
 Diagonal vibrational polarizability:
       47.2791011      32.1767939      43.1856938
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.7868                70.0659                99.8988
 Red. masses --      8.9078                 9.1139                11.6971
 Frc consts  --      0.0146                 0.0264                 0.0688
 IR Inten    --      0.4862                 2.4131                 1.9607
 RamAct Fr= 1--      0.4303                 0.0557                 0.7718
  Dep-P Fr= 1--      0.7486                 0.3068                 0.7489
  Dep-U Fr= 1--      0.8562                 0.4696                 0.8564
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0614                 0.0044                 0.1102
 AlphaG Fr= 1--     -0.0002                -0.0008                 0.0010
 Gamma2 Fr= 1--     -0.0990                 0.0217                 0.1347
 Delta2 Fr= 1--      0.0535                 0.0313                -0.0142
 Raman1 Fr= 1--       1.721                  0.223                  3.087
 ROA1   Fr= 1--      -7.797                  3.087                 12.478
 CID1   Fr= 1--      -4.530                 13.855                  4.042
 Raman2 Fr= 1--       0.737                  0.052                  1.322
 ROA2   Fr= 1--      -2.805                  0.271                  3.348
 CID2   Fr= 1--      -3.806                  5.171                  2.532
 Raman3 Fr= 1--       1.474                  0.105                  2.644
 ROA3   Fr= 1--      -7.797                  3.087                 12.478
 CID3   Fr= 1--      -5.291                 29.506                  4.720
 RC180  Fr= 1--       0.712                 -0.061                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.01   0.01  -0.07    -0.03   0.00  -0.11
     2   8     0.02  -0.04  -0.30    -0.02   0.00  -0.22    -0.02  -0.02  -0.41
     3   8    -0.05   0.03   0.45     0.03  -0.06  -0.12    -0.06   0.01   0.22
     4   6     0.02  -0.02  -0.09     0.06   0.08   0.11    -0.02   0.02  -0.05
     5   6     0.03   0.01  -0.07    -0.05   0.07  -0.11     0.03   0.00   0.05
     6   6    -0.01   0.00   0.06    -0.02  -0.01   0.05     0.05  -0.00   0.03
     7   8    -0.07  -0.00   0.37    -0.05  -0.08   0.10     0.14  -0.00  -0.38
     8   8     0.01   0.01  -0.16     0.06  -0.02   0.44    -0.01   0.02  -0.10
     9   8     0.03  -0.00  -0.14    -0.05   0.00  -0.42    -0.01   0.01   0.19
    10   8     0.03   0.01  -0.15     0.01  -0.00   0.22    -0.04  -0.02   0.51
    11   1     0.02  -0.09  -0.09     0.20   0.31   0.09    -0.10   0.02  -0.04
    12   1     0.06   0.08  -0.07    -0.18   0.27  -0.08     0.10  -0.06   0.04
    13   1     0.04   0.00  -0.32     0.02   0.03   0.06    -0.04  -0.05   0.30
    14   1    -0.08   0.03   0.54     0.06  -0.06   0.03    -0.08   0.01   0.34
    15   1    -0.02  -0.00  -0.11     0.22   0.07   0.23    -0.06   0.00   0.03
    16   1    -0.03   0.02   0.12    -0.08  -0.03  -0.26     0.08  -0.04  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    247.2102               249.5725               328.4968
 Red. masses --      8.0659                 6.4189                 5.5313
 Frc consts  --      0.2904                 0.2356                 0.3517
 IR Inten    --     30.6089                10.9704                17.5436
 RamAct Fr= 1--      0.0275                 1.0513                 0.2175
  Dep-P Fr= 1--      0.5936                 0.7271                 0.6038
  Dep-U Fr= 1--      0.7450                 0.8420                 0.7530
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0006
 Beta2  Fr= 1--      0.0034                 0.1475                 0.0273
 AlphaG Fr= 1--     -0.0008                 0.0025                -0.0023
 Gamma2 Fr= 1--      0.0197                -0.2178                -0.0290
 Delta2 Fr= 1--      0.0254                -0.0976                 0.0214
 Raman1 Fr= 1--       0.110                  4.205                  0.870
 ROA1   Fr= 1--       2.705                -24.035                 -2.100
 CID1   Fr= 1--      24.544                 -5.715                 -2.414
 Raman2 Fr= 1--       0.041                  1.770                  0.328
 ROA2   Fr= 1--       0.270                 -4.447                 -0.867
 CID2   Fr= 1--       6.576                 -2.512                 -2.646
 Raman3 Fr= 1--       0.082                  3.541                  0.655
 ROA3   Fr= 1--       2.705                -24.035                 -2.100
 CID3   Fr= 1--      32.945                 -6.788                 -3.206
 RC180  Fr= 1--       0.490                  0.684                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.00   0.01     0.00  -0.13   0.06     0.05   0.04   0.10
     2   8    -0.26   0.03   0.02     0.22  -0.21  -0.09    -0.04   0.06  -0.11
     3   8    -0.14  -0.22   0.01    -0.04   0.09  -0.06     0.12  -0.10  -0.04
     4   6    -0.04   0.13   0.03    -0.14  -0.16   0.19     0.04   0.02   0.26
     5   6    -0.02   0.17   0.07    -0.13   0.11   0.19     0.01  -0.01   0.24
     6   6     0.16  -0.03   0.03    -0.01   0.11   0.08     0.02  -0.04   0.10
     7   8     0.12  -0.18  -0.01    -0.02  -0.00  -0.07     0.09   0.11  -0.04
     8   8     0.18   0.04  -0.07    -0.09  -0.13  -0.04    -0.02   0.17  -0.12
     9   8    -0.20   0.07   0.03    -0.01   0.12  -0.07    -0.07  -0.14  -0.13
    10   8     0.33   0.04  -0.08     0.18   0.16  -0.05    -0.15  -0.08  -0.09
    11   1    -0.10   0.13   0.04    -0.23  -0.29   0.19    -0.12  -0.19   0.27
    12   1    -0.00   0.24   0.07    -0.23   0.27   0.20    -0.15   0.19   0.27
    13   1     0.37   0.13  -0.08     0.18   0.17  -0.01    -0.16  -0.14  -0.04
    14   1     0.05  -0.24  -0.02    -0.23   0.11  -0.01     0.24  -0.12  -0.03
    15   1     0.33   0.15  -0.13    -0.05  -0.12  -0.20    -0.08   0.09  -0.38
    16   1    -0.15  -0.12  -0.03     0.02   0.15  -0.21    -0.04  -0.31  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.2066               367.6159               393.3612
 Red. masses --      6.0937                 4.2151                 5.0978
 Frc consts  --      0.4328                 0.3356                 0.4647
 IR Inten    --      7.8430                 6.3529                24.0388
 RamAct Fr= 1--      3.0661                 1.8571                 0.9635
  Dep-P Fr= 1--      0.1349                 0.4453                 0.3867
  Dep-U Fr= 1--      0.2378                 0.6162                 0.5578
 Alpha2 Fr= 1--      0.0492                 0.0116                 0.0075
 Beta2  Fr= 1--      0.1215                 0.1907                 0.0896
 AlphaG Fr= 1--      0.0238                -0.0099                -0.0144
 Gamma2 Fr= 1--      0.1430                 0.0480                 0.2811
 Delta2 Fr= 1--      0.0880                 0.0780                 0.0496
 Raman1 Fr= 1--      12.264                  7.428                  3.854
 ROA1   Fr= 1--      16.541                  7.104                 28.574
 CID1   Fr= 1--       1.349                  0.956                  7.414
 Raman2 Fr= 1--       1.458                  2.289                  1.075
 ROA2   Fr= 1--       2.727                  0.527                  6.349
 CID2   Fr= 1--       1.871                  0.230                  5.908
 Raman3 Fr= 1--       2.916                  4.578                  2.150
 ROA3   Fr= 1--      16.541                  7.104                 28.574
 CID3   Fr= 1--       5.672                  1.552                 13.293
 RC180  Fr= 1--      -0.524                  0.232                  0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.00   0.02    -0.08   0.01  -0.04    -0.04   0.07   0.05
     2   8     0.15  -0.00  -0.02     0.00  -0.02   0.02    -0.09   0.08  -0.04
     3   8     0.17  -0.03   0.03    -0.16   0.24  -0.00    -0.04   0.07  -0.02
     4   6     0.07   0.03   0.01    -0.04  -0.01  -0.01    -0.01   0.02   0.14
     5   6    -0.11   0.07  -0.04     0.05   0.00   0.06    -0.04  -0.03   0.09
     6   6    -0.16   0.03  -0.05     0.06  -0.03   0.05    -0.10  -0.08  -0.03
     7   8    -0.21  -0.09  -0.02     0.12   0.10  -0.00    -0.14  -0.23  -0.04
     8   8     0.27  -0.05  -0.06     0.20  -0.14   0.03     0.11   0.02  -0.05
     9   8    -0.27   0.04   0.13    -0.05  -0.08  -0.05     0.31   0.12  -0.02
    10   8    -0.10   0.04   0.02    -0.09  -0.08  -0.04    -0.03  -0.09  -0.01
    11   1     0.12   0.02   0.00    -0.11   0.11   0.02    -0.09  -0.04   0.15
    12   1    -0.12  -0.01  -0.04     0.07   0.07   0.06    -0.20  -0.06   0.12
    13   1    -0.11   0.06   0.03    -0.11  -0.17   0.01    -0.02  -0.02  -0.03
    14   1     0.20  -0.04  -0.00    -0.40   0.27  -0.04    -0.07   0.08  -0.04
    15   1     0.57   0.13  -0.40     0.55   0.07  -0.34     0.29   0.10  -0.43
    16   1    -0.21  -0.09  -0.03    -0.06  -0.21   0.05     0.22   0.50   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    447.1017               500.8361               517.3522
 Red. masses --      1.2702                 6.0153                 1.4087
 Frc consts  --      0.1496                 0.8890                 0.2221
 IR Inten    --    158.8246                13.2636                51.6253
 RamAct Fr= 1--      0.9246                 4.8102                 0.8827
  Dep-P Fr= 1--      0.7422                 0.5542                 0.3031
  Dep-U Fr= 1--      0.8520                 0.7131                 0.4652
 Alpha2 Fr= 1--      0.0001                 0.0180                 0.0090
 Beta2  Fr= 1--      0.1313                 0.5717                 0.0684
 AlphaG Fr= 1--      0.0006                 0.0261                 0.0325
 Gamma2 Fr= 1--      0.0245                -0.2977                 0.4285
 Delta2 Fr= 1--      0.3574                -0.5245                 0.1102
 Raman1 Fr= 1--       3.698                 19.241                  3.531
 ROA1   Fr= 1--      13.790                -45.362                 44.662
 CID1   Fr= 1--       3.729                 -2.358                 12.649
 Raman2 Fr= 1--       1.576                  6.861                  0.821
 ROA2   Fr= 1--      -2.270                 -2.949                  9.402
 CID2   Fr= 1--      -1.441                 -0.430                 11.449
 Raman3 Fr= 1--       3.151                 13.721                  1.642
 ROA3   Fr= 1--      13.790                -45.362                 44.662
 CID3   Fr= 1--       4.376                 -3.306                 27.193
 RC180  Fr= 1--       0.704                  0.426                 -0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.07   0.14  -0.11    -0.01   0.00   0.03
     2   8     0.01   0.00   0.00    -0.14   0.23  -0.00    -0.00  -0.01  -0.01
     3   8    -0.01   0.02  -0.02     0.10   0.02   0.05    -0.01   0.00  -0.01
     4   6    -0.00   0.01   0.03    -0.04  -0.10  -0.06    -0.00  -0.00   0.04
     5   6    -0.01   0.01   0.03    -0.01  -0.13   0.13    -0.01  -0.04  -0.01
     6   6    -0.01  -0.01   0.00    -0.11   0.06   0.12    -0.00   0.02  -0.07
     7   8    -0.01  -0.01  -0.01    -0.10   0.03  -0.06    -0.02   0.03  -0.02
     8   8     0.09  -0.01  -0.07     0.01  -0.22   0.01     0.02   0.01  -0.02
     9   8    -0.01   0.01  -0.03     0.04  -0.21  -0.03    -0.00  -0.08  -0.04
    10   8    -0.02  -0.02  -0.00     0.13   0.18  -0.01     0.05   0.06   0.04
    11   1    -0.05  -0.01   0.04    -0.23  -0.03  -0.02     0.00  -0.03   0.04
    12   1    -0.07   0.03   0.04     0.08  -0.04   0.11    -0.06  -0.15   0.01
    13   1    -0.02  -0.02  -0.01     0.17   0.38   0.02     0.06   0.09  -0.01
    14   1    -0.03   0.03   0.10     0.16   0.02  -0.00    -0.01   0.00   0.00
    15   1    -0.20  -0.10   0.95     0.10  -0.14   0.10     0.03   0.02  -0.01
    16   1    -0.01   0.02  -0.01     0.15  -0.27  -0.47    -0.24   0.03   0.93
                     13                     14                     15
                      A                      A                      A
 Frequencies --    559.5717               595.9212               661.8145
 Red. masses --      2.9476                 7.0575                 3.6673
 Frc consts  --      0.5438                 1.4767                 0.9464
 IR Inten    --     24.9640                 3.6175                32.4642
 RamAct Fr= 1--      1.0954                 1.2931                 0.7358
  Dep-P Fr= 1--      0.0873                 0.2396                 0.6637
  Dep-U Fr= 1--      0.1606                 0.3866                 0.7978
 Alpha2 Fr= 1--      0.0198                 0.0158                 0.0011
 Beta2  Fr= 1--      0.0293                 0.0833                 0.0978
 AlphaG Fr= 1--     -0.0344                -0.0087                 0.0020
 Gamma2 Fr= 1--     -0.1546                 0.1196                -0.5205
 Delta2 Fr= 1--      0.1066                 0.2900                -0.4340
 Raman1 Fr= 1--       4.382                  5.172                  2.943
 ROA1   Fr= 1--     -11.434                 20.761                -63.850
 CID1   Fr= 1--      -2.609                  4.014                -21.695
 Raman2 Fr= 1--       0.352                  1.000                  1.174
 ROA2   Fr= 1--      -4.564                  0.550                 -9.019
 CID2   Fr= 1--     -12.968                  0.550                 -7.682
 Raman3 Fr= 1--       0.704                  1.999                  2.348
 ROA3   Fr= 1--     -11.434                 20.761                -63.850
 CID3   Fr= 1--     -16.244                 10.383                -27.192
 RC180  Fr= 1--      -0.679                 -0.227                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.15    -0.06  -0.11  -0.21    -0.05   0.08  -0.12
     2   8     0.07   0.04   0.05     0.13  -0.18   0.09     0.15   0.03   0.04
     3   8     0.06  -0.07   0.07    -0.15  -0.03   0.05    -0.04  -0.10   0.06
     4   6    -0.09   0.03  -0.11     0.06   0.15  -0.08    -0.15   0.09   0.05
     5   6    -0.01   0.08   0.11     0.11  -0.05   0.13    -0.15  -0.08   0.01
     6   6     0.00  -0.02   0.14    -0.13   0.05   0.14    -0.01  -0.07  -0.16
     7   8     0.05  -0.05  -0.07    -0.14  -0.08  -0.08     0.01   0.16   0.07
     8   8    -0.05  -0.07   0.03     0.08   0.29   0.04     0.04  -0.00  -0.02
     9   8    -0.00   0.10  -0.06     0.09  -0.20  -0.03     0.04  -0.01  -0.01
    10   8    -0.06  -0.07  -0.05    -0.01   0.13  -0.04     0.08  -0.09   0.06
    11   1    -0.27   0.18  -0.07    -0.11   0.46  -0.01    -0.37   0.23   0.10
    12   1     0.14   0.25   0.08     0.26   0.02   0.11    -0.42  -0.23   0.06
    13   1    -0.09  -0.12   0.07    -0.02   0.13   0.15     0.12   0.02  -0.08
    14   1     0.20  -0.10  -0.06    -0.12  -0.04  -0.19     0.25  -0.15  -0.30
    15   1     0.04  -0.00   0.07    -0.03   0.21   0.00     0.15   0.09   0.01
    16   1    -0.19   0.20   0.70     0.14  -0.23  -0.20     0.10   0.12  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    718.3197               755.9042               760.8162
 Red. masses --      1.1295                 5.8363                 7.7754
 Frc consts  --      0.3434                 1.9648                 2.6517
 IR Inten    --     62.2162                 3.6560                11.2721
 RamAct Fr= 1--      0.4531                 0.4003                 6.6281
  Dep-P Fr= 1--      0.6950                 0.0748                 0.0742
  Dep-U Fr= 1--      0.8200                 0.1393                 0.1382
 Alpha2 Fr= 1--      0.0004                 0.0075                 0.1235
 Beta2  Fr= 1--      0.0619                 0.0093                 0.1527
 AlphaG Fr= 1--      0.0103                -0.0170                 0.0030
 Gamma2 Fr= 1--      0.0028                 0.0663                 0.3471
 Delta2 Fr= 1--      0.0928                 0.0283                -0.0827
 Raman1 Fr= 1--       1.812                  1.601                 26.512
 ROA1   Fr= 1--       3.242                  7.269                 30.675
 CID1   Fr= 1--       1.789                  4.540                  1.157
 Raman2 Fr= 1--       0.743                  0.111                  1.832
 ROA2   Fr= 1--      -0.675                  1.364                  8.992
 CID2   Fr= 1--      -0.908                 12.238                  4.908
 Raman3 Fr= 1--       1.486                  0.223                  3.664
 ROA3   Fr= 1--       3.242                  7.269                 30.675
 CID3   Fr= 1--       2.181                 32.601                  8.371
 RC180  Fr= 1--       0.640                 -0.721                 -0.724
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.02    -0.10   0.11   0.29    -0.19   0.23   0.23
     2   8     0.02   0.00   0.03     0.11   0.02  -0.08     0.26   0.11  -0.06
     3   8     0.00  -0.03  -0.06    -0.09  -0.06  -0.05    -0.15  -0.15  -0.06
     4   6    -0.02   0.02  -0.02     0.01   0.02  -0.11    -0.11   0.07  -0.03
     5   6    -0.01  -0.01   0.00    -0.03  -0.04  -0.12     0.13   0.04  -0.01
     6   6    -0.02  -0.01   0.01    -0.20  -0.13   0.31     0.16   0.17  -0.08
     7   8    -0.00   0.02  -0.00    -0.05   0.16  -0.10     0.04  -0.21   0.04
     8   8     0.00   0.01  -0.01     0.04   0.00   0.02    -0.04  -0.13  -0.01
     9   8     0.01  -0.01  -0.00     0.02   0.01   0.02     0.05  -0.12   0.01
    10   8     0.02  -0.01   0.00     0.13  -0.12  -0.05    -0.19   0.17  -0.01
    11   1    -0.02   0.04  -0.01     0.40  -0.15  -0.19    -0.05  -0.11  -0.05
    12   1    -0.01  -0.01   0.00     0.36   0.12  -0.19     0.19  -0.07  -0.01
    13   1     0.02   0.01  -0.02     0.19   0.16   0.03    -0.26  -0.20   0.05
    14   1    -0.11   0.01   0.98     0.17  -0.10  -0.24     0.39  -0.22   0.11
    15   1     0.07   0.05  -0.09     0.08   0.04   0.05     0.16   0.02   0.05
    16   1     0.01   0.02  -0.02    -0.02   0.12   0.12     0.10  -0.21  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    893.6971               908.5299               928.3448
 Red. masses --      1.2828                 3.2748                 3.6757
 Frc consts  --      0.6037                 1.5926                 1.8664
 IR Inten    --     80.1307                16.8164                 6.4515
 RamAct Fr= 1--      0.7874                 0.5815                 2.8575
  Dep-P Fr= 1--      0.3827                 0.1125                 0.0493
  Dep-U Fr= 1--      0.5536                 0.2023                 0.0940
 Alpha2 Fr= 1--      0.0062                 0.0099                 0.0565
 Beta2  Fr= 1--      0.0727                 0.0196                 0.0448
 AlphaG Fr= 1--     -0.0211                -0.0053                 0.0452
 Gamma2 Fr= 1--      0.3719                 0.3370                -0.0277
 Delta2 Fr= 1--      0.2068                 0.2151                -0.0070
 Raman1 Fr= 1--       3.150                  2.326                 11.430
 ROA1   Fr= 1--      42.323                 39.232                 -2.881
 CID1   Fr= 1--      13.437                 16.867                 -0.252
 Raman2 Fr= 1--       0.872                  0.235                  0.537
 ROA2   Fr= 1--       7.273                  6.366                 -0.609
 CID2   Fr= 1--       8.342                 27.064                 -1.133
 Raman3 Fr= 1--       1.744                  0.470                  1.074
 ROA3   Fr= 1--      42.323                 39.232                 -2.881
 CID3   Fr= 1--      24.272                 83.389                 -2.682
 RC180  Fr= 1--       0.107                 -0.595                 -0.812
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.03   0.07  -0.15    -0.00   0.04  -0.16
     2   8    -0.01  -0.00  -0.02     0.06   0.09   0.01     0.05   0.07   0.04
     3   8     0.02   0.00   0.01    -0.15  -0.03   0.01    -0.10  -0.02   0.01
     4   6    -0.03   0.00   0.01     0.19  -0.10   0.11     0.11  -0.12   0.13
     5   6    -0.07  -0.05  -0.06     0.15   0.06   0.05    -0.15  -0.13  -0.15
     6   6     0.03   0.01   0.04    -0.05  -0.04  -0.10     0.04   0.04   0.20
     7   8     0.04  -0.01   0.01    -0.08   0.04   0.01     0.10  -0.05  -0.03
     8   8     0.02   0.02  -0.01    -0.02  -0.04  -0.00     0.05   0.03  -0.01
     9   8     0.01  -0.01   0.01    -0.05   0.06  -0.00    -0.02   0.02   0.02
    10   8    -0.00   0.03  -0.05     0.04  -0.07  -0.01    -0.06   0.08  -0.01
    11   1    -0.00   0.02   0.01     0.20  -0.25   0.09     0.27  -0.15   0.10
    12   1    -0.12  -0.09  -0.05     0.11   0.18   0.06    -0.30  -0.19  -0.12
    13   1    -0.09  -0.03   0.96     0.02   0.06   0.62    -0.04  -0.06  -0.60
    14   1    -0.01   0.01   0.02     0.09  -0.06   0.09     0.08  -0.05   0.04
    15   1     0.04   0.04   0.02    -0.31  -0.27  -0.13    -0.21  -0.17  -0.11
    16   1    -0.01   0.12  -0.01    -0.03  -0.21   0.09    -0.07   0.26   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1062.5189              1093.0372              1093.4830
 Red. masses --      6.6168                 6.8472                 4.6663
 Frc consts  --      4.4012                 4.8198                 3.2874
 IR Inten    --     30.5415                64.8208               107.4381
 RamAct Fr= 1--      2.7271                 1.9194                 3.1489
  Dep-P Fr= 1--      0.2284                 0.6702                 0.6998
  Dep-U Fr= 1--      0.3719                 0.8025                 0.8234
 Alpha2 Fr= 1--      0.0343                 0.0027                 0.0028
 Beta2  Fr= 1--      0.1690                 0.2567                 0.4321
 AlphaG Fr= 1--     -0.0348                -0.0032                -0.0241
 Gamma2 Fr= 1--     -0.2291                 0.0007                 0.1302
 Delta2 Fr= 1--     -0.0662                -0.5169                 0.9156
 Raman1 Fr= 1--      10.908                  7.678                 12.596
 ROA1   Fr= 1--     -24.118                -16.468                 41.796
 CID1   Fr= 1--      -2.211                 -2.145                  3.318
 Raman2 Fr= 1--       2.028                  3.081                  5.185
 ROA2   Fr= 1--      -4.970                  4.153                 -4.200
 CID2   Fr= 1--      -2.450                  1.348                 -0.810
 Raman3 Fr= 1--       4.057                  6.161                 10.371
 ROA3   Fr= 1--     -24.118                -16.468                 41.796
 CID3   Fr= 1--      -5.945                 -2.673                  4.030
 RC180  Fr= 1--      -0.256                  0.605                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.10    -0.01   0.01  -0.10    -0.02  -0.01   0.02
     2   8    -0.02  -0.06   0.03    -0.00   0.04   0.01    -0.00  -0.04   0.00
     3   8     0.06   0.02   0.03     0.03  -0.00   0.02    -0.03   0.02  -0.01
     4   6    -0.02   0.33   0.35    -0.16  -0.21   0.06     0.32   0.24  -0.10
     5   6     0.19   0.08  -0.29    -0.15   0.47  -0.15    -0.24   0.12   0.13
     6   6    -0.06  -0.03   0.14     0.01   0.03  -0.02     0.03   0.03  -0.01
     7   8    -0.03   0.00  -0.04    -0.02   0.01  -0.00     0.02   0.01   0.01
     8   8    -0.15  -0.19  -0.12     0.04   0.09   0.04    -0.08  -0.14  -0.04
     9   8     0.03  -0.04   0.04     0.13  -0.28   0.10     0.04  -0.13   0.02
    10   8     0.01  -0.01  -0.02     0.01  -0.09  -0.00     0.00  -0.03   0.00
    11   1    -0.16   0.29   0.35     0.20  -0.36  -0.02     0.45   0.14  -0.15
    12   1     0.08  -0.00  -0.25     0.17   0.50  -0.19    -0.41   0.06   0.18
    13   1     0.03   0.07  -0.06     0.01  -0.08  -0.03    -0.01  -0.04   0.03
    14   1    -0.03   0.03  -0.01     0.05  -0.01  -0.01     0.02   0.01   0.00
    15   1     0.29   0.16   0.12    -0.01   0.04   0.05    -0.15  -0.20  -0.08
    16   1     0.06  -0.27   0.06     0.07   0.10   0.06    -0.03   0.40  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1209.3791              1242.2233              1258.9457
 Red. masses --      1.4098                 1.4549                 1.3303
 Frc consts  --      1.2149                 1.3228                 1.2423
 IR Inten    --     87.2214                 7.4658                 8.2811
 RamAct Fr= 1--      7.0059                 2.3437                 3.9135
  Dep-P Fr= 1--      0.4526                 0.2418                 0.2463
  Dep-U Fr= 1--      0.6232                 0.3894                 0.3952
 Alpha2 Fr= 1--      0.0425                 0.0284                 0.0469
 Beta2  Fr= 1--      0.7277                 0.1521                 0.2578
 AlphaG Fr= 1--      0.0521                -0.0001                -0.0435
 Gamma2 Fr= 1--     -0.0110                -0.6168                 1.1923
 Delta2 Fr= 1--      0.3400                -0.5199                 1.0837
 Raman1 Fr= 1--      28.024                  9.375                 15.654
 ROA1   Fr= 1--       9.826                -75.848                149.141
 CID1   Fr= 1--       0.351                 -8.091                  9.527
 Raman2 Fr= 1--       8.732                  1.825                  3.093
 ROA2   Fr= 1--      -2.984                -10.643                 19.946
 CID2   Fr= 1--      -0.342                 -5.831                  6.448
 Raman3 Fr= 1--      17.464                  3.651                  6.187
 ROA3   Fr= 1--       9.826                -75.848                149.141
 CID3   Fr= 1--       0.563                -20.776                 24.107
 RC180  Fr= 1--       0.246                 -0.221                 -0.210
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.03  -0.02    -0.08   0.02  -0.06     0.10  -0.02   0.05
     2   8     0.02   0.05   0.00    -0.01  -0.04   0.01     0.01   0.04  -0.01
     3   8    -0.07  -0.05   0.00     0.05   0.03   0.01    -0.04  -0.04  -0.01
     4   6     0.01   0.01  -0.00    -0.04   0.04   0.05     0.00  -0.01   0.02
     5   6    -0.01  -0.00   0.03    -0.04  -0.08   0.05    -0.01  -0.04  -0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.04  -0.06    -0.01  -0.03  -0.04
     7   8     0.00  -0.00   0.00     0.02   0.00   0.01     0.02  -0.00   0.01
     8   8    -0.06   0.01  -0.01    -0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   8     0.00   0.01  -0.00    -0.01   0.00  -0.01    -0.01  -0.03   0.02
    10   8    -0.01  -0.00   0.00    -0.01   0.03   0.01    -0.01   0.02   0.00
    11   1     0.22  -0.38  -0.07     0.50  -0.26  -0.07    -0.20   0.46   0.10
    12   1    -0.02  -0.05   0.03     0.61   0.29  -0.07     0.28   0.55  -0.08
    13   1     0.00   0.05   0.00    -0.01   0.01  -0.01    -0.00   0.10   0.01
    14   1    -0.48   0.01  -0.10     0.23   0.00   0.02    -0.35   0.01  -0.04
    15   1     0.50   0.45   0.25     0.13   0.10   0.06    -0.15  -0.13  -0.07
    16   1     0.01  -0.03  -0.01    -0.04   0.30  -0.06    -0.05   0.37  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.5522              1306.9930              1363.2381
 Red. masses --      2.8441                 1.1794                 1.2036
 Frc consts  --      2.8257                 1.1870                 1.3179
 IR Inten    --    119.4982                56.8636                14.5788
 RamAct Fr= 1--      4.9262                 3.3062                 5.0945
  Dep-P Fr= 1--      0.3592                 0.3510                 0.7437
  Dep-U Fr= 1--      0.5285                 0.5196                 0.8530
 Alpha2 Fr= 1--      0.0420                 0.0289                 0.0005
 Beta2  Fr= 1--      0.4339                 0.2863                 0.7242
 AlphaG Fr= 1--      0.0005                 0.0209                -0.0025
 Gamma2 Fr= 1--      0.7909                -1.7544                -0.3057
 Delta2 Fr= 1--     -0.2125                 0.4545                -2.0297
 Raman1 Fr= 1--      19.705                 13.225                 20.378
 ROA1   Fr= 1--      69.130               -153.878                -94.298
 CID1   Fr= 1--       3.508                -11.636                 -4.627
 Raman2 Fr= 1--       5.207                  3.436                  8.691
 ROA2   Fr= 1--      20.682                -45.742                  8.901
 CID2   Fr= 1--       3.972                -13.312                  1.024
 Raman3 Fr= 1--      10.414                  6.872                 17.382
 ROA3   Fr= 1--      69.130               -153.878                -94.298
 CID3   Fr= 1--       6.638                -22.392                 -5.425
 RC180  Fr= 1--       0.057                  0.039                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.02  -0.01   0.00    -0.04   0.00  -0.01
     2   8    -0.01   0.03  -0.00     0.01   0.02  -0.00     0.00   0.01   0.00
     3   8    -0.00  -0.00   0.00     0.00  -0.02   0.00     0.02  -0.00   0.00
     4   6     0.01  -0.01   0.03    -0.06  -0.01   0.03    -0.05  -0.03  -0.01
     5   6     0.02  -0.06   0.01    -0.04   0.05   0.04     0.04  -0.06  -0.00
     6   6     0.07   0.30   0.03     0.00  -0.01   0.00     0.02   0.05   0.01
     7   8    -0.10   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.00  -0.01
     8   8    -0.00   0.00  -0.01     0.01  -0.01  -0.03    -0.01   0.00  -0.02
     9   8    -0.05  -0.03  -0.02     0.01   0.02  -0.02     0.01   0.01   0.02
    10   8     0.07  -0.16   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
    11   1    -0.12   0.08   0.07     0.52   0.47  -0.03     0.48   0.31  -0.08
    12   1     0.36  -0.28  -0.06     0.28  -0.49  -0.01    -0.49   0.54   0.09
    13   1    -0.02  -0.54  -0.00     0.00   0.00   0.02    -0.02  -0.22  -0.01
    14   1    -0.06   0.00  -0.01    -0.25   0.01  -0.04    -0.05   0.01  -0.02
    15   1     0.05   0.04   0.02    -0.17  -0.15  -0.06     0.08   0.07   0.03
    16   1    -0.09   0.53  -0.13     0.03  -0.24   0.01     0.04  -0.21   0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1378.7156              1409.1806              1435.4982
 Red. masses --      1.4234                 1.5321                 2.1873
 Frc consts  --      1.5941                 1.7925                 2.6556
 IR Inten    --    393.5274               119.0174               133.4021
 RamAct Fr= 1--      3.8454                 1.7650                 0.9447
  Dep-P Fr= 1--      0.3628                 0.4994                 0.4198
  Dep-U Fr= 1--      0.5324                 0.6661                 0.5913
 Alpha2 Fr= 1--      0.0324                 0.0087                 0.0065
 Beta2  Fr= 1--      0.3412                 0.1959                 0.0931
 AlphaG Fr= 1--      0.0084                 0.0264                -0.0088
 Gamma2 Fr= 1--     -0.9027                 1.1360                 0.5885
 Delta2 Fr= 1--      0.0760                 0.4605                 0.6300
 Raman1 Fr= 1--      15.382                  7.060                  3.779
 ROA1   Fr= 1--     -84.230                123.792                 76.660
 CID1   Fr= 1--      -5.476                 17.535                 20.286
 Raman2 Fr= 1--       4.095                  2.351                  1.117
 ROA2   Fr= 1--     -22.274                 23.581                  9.085
 CID2   Fr= 1--      -5.440                 10.029                  8.131
 Raman3 Fr= 1--       8.189                  4.703                  2.234
 ROA3   Fr= 1--     -84.230                123.792                 76.660
 CID3   Fr= 1--     -10.286                 26.324                 34.308
 RC180  Fr= 1--       0.065                  0.332                  0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01   0.02     0.08  -0.02  -0.00     0.19  -0.04   0.01
     2   8    -0.03  -0.03  -0.00    -0.01  -0.01   0.00    -0.03  -0.01   0.00
     3   8    -0.08   0.04  -0.01    -0.04   0.01  -0.00    -0.09   0.01  -0.01
     4   6     0.04  -0.08   0.01    -0.10   0.02  -0.00    -0.11   0.15  -0.00
     5   6    -0.05   0.01   0.00     0.14   0.03   0.02    -0.07  -0.05  -0.01
     6   6     0.01   0.01  -0.01    -0.03   0.01   0.01     0.04   0.06   0.00
     7   8     0.00  -0.00   0.00     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.04   0.00  -0.03     0.01  -0.01   0.00     0.06  -0.01   0.02
     9   8     0.01   0.01   0.00    -0.04  -0.04  -0.01     0.03   0.02   0.01
    10   8    -0.00  -0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.03   0.00
    11   1    -0.03   0.45   0.07     0.34  -0.00  -0.09     0.08  -0.46  -0.09
    12   1     0.15   0.01  -0.03    -0.36  -0.18   0.11     0.10   0.25  -0.05
    13   1     0.01   0.08   0.01     0.04   0.44   0.01     0.00  -0.14   0.01
    14   1     0.71  -0.06   0.10     0.27  -0.03   0.03     0.28  -0.04   0.05
    15   1     0.32   0.28   0.13    -0.08  -0.07  -0.05    -0.37  -0.35  -0.16
    16   1     0.03  -0.16   0.02    -0.09   0.60  -0.11     0.08  -0.45   0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1476.1282              1783.6291              1817.0414
 Red. masses --      1.4953                 8.8286                 8.3662
 Frc consts  --      1.9197                16.5482                16.2746
 IR Inten    --    181.8951               376.9580               266.8064
 RamAct Fr= 1--      0.9144                28.8830                 8.7624
  Dep-P Fr= 1--      0.3725                 0.0944                 0.6718
  Dep-U Fr= 1--      0.5428                 0.1724                 0.8037
 Alpha2 Fr= 1--      0.0075                 0.5127                 0.0121
 Beta2  Fr= 1--      0.0827                 0.8301                 1.1737
 AlphaG Fr= 1--      0.0010                -0.0507                 0.0391
 Gamma2 Fr= 1--     -0.4068                -0.6785                 0.5932
 Delta2 Fr= 1--     -0.0259                -0.2600                 0.2071
 Raman1 Fr= 1--       3.658                115.532                 35.050
 ROA1   Fr= 1--     -39.886                -73.456                 63.572
 CID1   Fr= 1--     -10.905                 -0.636                  1.814
 Raman2 Fr= 1--       0.993                  9.961                 14.085
 ROA2   Fr= 1--      -9.557                -14.204                 12.579
 CID2   Fr= 1--      -9.628                 -1.426                  0.893
 Raman3 Fr= 1--       1.985                 19.923                 28.170
 ROA3   Fr= 1--     -39.886                -73.456                 63.572
 CID3   Fr= 1--     -20.091                 -3.687                  2.257
 RC180  Fr= 1--       0.086                 -0.655                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.00     0.15   0.50  -0.03    -0.14  -0.42   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.30   0.02     0.08   0.24  -0.02
     3   8     0.03  -0.00   0.00     0.00  -0.05   0.00     0.01   0.04  -0.00
     4   6     0.02  -0.00   0.00    -0.00  -0.05   0.00    -0.01   0.02  -0.01
     5   6    -0.05  -0.04  -0.01    -0.00   0.00  -0.01    -0.02  -0.00   0.00
     6   6     0.02   0.13  -0.01     0.42  -0.13   0.09     0.45  -0.21   0.09
     7   8     0.03  -0.03   0.01    -0.26   0.07  -0.06    -0.28   0.08  -0.06
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
     9   8     0.01   0.01   0.00    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.00    -0.06   0.01  -0.01    -0.05   0.03  -0.00
    11   1    -0.04  -0.01   0.01     0.02   0.05   0.01     0.02  -0.02  -0.01
    12   1     0.08   0.14  -0.03    -0.04  -0.04   0.00     0.00  -0.04   0.02
    13   1     0.11   0.91   0.01     0.17   0.32   0.05    -0.01   0.51  -0.03
    14   1    -0.13   0.01  -0.02    -0.39   0.05  -0.05     0.31  -0.03   0.04
    15   1    -0.01  -0.00   0.00    -0.02  -0.02  -0.01     0.03   0.04   0.01
    16   1     0.04  -0.26   0.05    -0.07   0.22  -0.03    -0.04   0.15  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2997.8213              3014.5678              3175.9377
 Red. masses --      1.0807                 1.0839                 1.0747
 Frc consts  --      5.7223                 5.8035                 6.3868
 IR Inten    --     10.9764                16.6138              1049.7139
 RamAct Fr= 1--    154.8233                 6.9217                90.6341
  Dep-P Fr= 1--      0.1604                 0.2105                 0.2327
  Dep-U Fr= 1--      0.2765                 0.3478                 0.3775
 Alpha2 Fr= 1--      2.3306                 0.0914                 1.1270
 Beta2  Fr= 1--      7.1350                 0.4012                 5.7030
 AlphaG Fr= 1--      0.2919                 0.0465                -0.1115
 Gamma2 Fr= 1--      3.5010                -2.1844                -2.3132
 Delta2 Fr= 1--      3.9979                -4.4022                 0.7002
 Raman1 Fr= 1--     619.293                 27.687                362.536
 ROA1   Fr= 1--     464.032               -350.575               -199.667
 CID1   Fr= 1--       0.749                -12.662                 -0.551
 Raman2 Fr= 1--      85.620                  4.815                 68.435
 ROA2   Fr= 1--      52.041                -17.209                -61.119
 CID2   Fr= 1--       0.608                 -3.574                 -0.893
 Raman3 Fr= 1--     171.239                  9.629                136.871
 ROA3   Fr= 1--     464.032               -350.575               -199.667
 CID3   Fr= 1--       2.710                -36.407                 -1.459
 RC180  Fr= 1--      -0.447                 -0.304                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.04    -0.01   0.01  -0.07     0.00   0.00  -0.00
     5   6    -0.01  -0.00  -0.07    -0.01  -0.00  -0.04     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.06   0.01  -0.00
    11   1    -0.10   0.04  -0.53     0.15  -0.07   0.82    -0.00   0.00   0.00
    12   1     0.15   0.01   0.82     0.09   0.01   0.53    -0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.98  -0.16   0.07
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.01  -0.00
    16   1    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00    -0.02   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3596.8318              3608.6584              3753.5768
 Red. masses --      1.0646                 1.0645                 1.0657
 Frc consts  --      8.1146                 8.1676                 8.8468
 IR Inten    --    180.5898               183.5280                88.7759
 RamAct Fr= 1--     45.8109                39.0007                48.7438
  Dep-P Fr= 1--      0.0705                 0.1036                 0.1415
  Dep-U Fr= 1--      0.1318                 0.1877                 0.2479
 Alpha2 Fr= 1--      0.8615                 0.6768                 0.7699
 Beta2  Fr= 1--      1.0060                 1.2204                 2.0138
 AlphaG Fr= 1--     -0.0889                -0.0089                -0.1027
 Gamma2 Fr= 1--     -0.7301                 1.3753                -0.0297
 Delta2 Fr= 1--     -0.1294                 0.1840                -0.5559
 Raman1 Fr= 1--     183.244                156.003                194.975
 ROA1   Fr= 1--     -74.233                137.916                -20.638
 CID1   Fr= 1--      -0.405                  0.884                 -0.106
 Raman2 Fr= 1--      12.072                 14.645                 24.166
 ROA2   Fr= 1--     -16.488                 31.536                  3.734
 CID2   Fr= 1--      -1.366                  2.153                  0.155
 Raman3 Fr= 1--      24.144                 29.289                 48.331
 ROA3   Fr= 1--     -74.233                137.916                -20.638
 CID3   Fr= 1--      -3.075                  4.709                 -0.427
 RC180  Fr= 1--      -0.736                 -0.625                 -0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.00  -0.00    -0.01  -0.06   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.05   0.01
     9   8    -0.06  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.02   0.00   0.00    -0.02   0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01  -0.05   0.00     0.13   0.99  -0.02    -0.00  -0.05   0.00
    15   1     0.01  -0.02   0.00    -0.03   0.03  -0.00    -0.59   0.80  -0.10
    16   1     0.96   0.13   0.22     0.05   0.01   0.01     0.02   0.00   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   860.390701690.060542490.25697
           X            0.99999   0.00482  -0.00227
           Y           -0.00483   0.99998  -0.00298
           Z            0.00226   0.00299   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10067     0.05125     0.03478
 Rotational constants (GHZ):           2.09758     1.06786     0.72472
 Zero-point vibrational energy     303734.1 (Joules/Mol)
                                   72.59420 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     75.95   100.81   143.73   355.68   359.08
          (Kelvin)            472.63   499.55   528.92   565.96   643.28
                              720.59   744.35   805.10   857.40   952.20
                             1033.50  1087.58  1094.64  1285.83  1307.17
                             1335.68  1528.73  1572.64  1573.28  1740.03
                             1787.28  1811.34  1868.33  1880.47  1961.40
                             1983.66  2027.50  2065.36  2123.82  2566.24
                             2614.32  4313.20  4337.29  4569.47  5175.04
                             5192.05  5400.56
 
 Zero-point correction=                           0.115686 (Hartree/Particle)
 Thermal correction to Energy=                    0.125067
 Thermal correction to Enthalpy=                  0.126011
 Thermal correction to Gibbs Free Energy=         0.080413
 Sum of electronic and zero-point Energies=           -607.574404
 Sum of electronic and thermal Energies=              -607.565024
 Sum of electronic and thermal Enthalpies=            -607.564080
 Sum of electronic and thermal Free Energies=         -607.609677
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.480             34.486             95.968
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.672
 Vibrational             76.703             28.524             25.369
 Vibration     1          0.596              1.976              4.710
 Vibration     2          0.598              1.968              4.152
 Vibration     3          0.604              1.949              3.456
 Vibration     4          0.661              1.767              1.750
 Vibration     5          0.662              1.763              1.734
 Vibration     6          0.712              1.619              1.267
 Vibration     7          0.725              1.581              1.179
 Vibration     8          0.740              1.539              1.090
 Vibration     9          0.761              1.484              0.987
 Vibration    10          0.806              1.367              0.805
 Vibration    11          0.856              1.248              0.656
 Vibration    12          0.872              1.212              0.616
 Vibration    13          0.915              1.119              0.525
 Vibration    14          0.954              1.040              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.102917D-36        -36.987512        -85.166893
 Total V=0       0.167652D+17         16.224409         37.358082
 Vib (Bot)       0.209199D-50        -50.679440       -116.693724
 Vib (Bot)    1  0.391510D+01          0.592742          1.364840
 Vib (Bot)    2  0.294352D+01          0.468868          1.079608
 Vib (Bot)    3  0.205439D+01          0.312684          0.719981
 Vib (Bot)    4  0.790535D+00         -0.102079         -0.235046
 Vib (Bot)    5  0.782181D+00         -0.106693         -0.245669
 Vib (Bot)    6  0.569316D+00         -0.244647         -0.563320
 Vib (Bot)    7  0.532343D+00         -0.273809         -0.630468
 Vib (Bot)    8  0.496046D+00         -0.304478         -0.701086
 Vib (Bot)    9  0.455301D+00         -0.341701         -0.786796
 Vib (Bot)   10  0.384453D+00         -0.415156         -0.955933
 Vib (Bot)   11  0.327913D+00         -0.484241         -1.115006
 Vib (Bot)   12  0.312756D+00         -0.504794         -1.162331
 Vib (Bot)   13  0.277868D+00         -0.556162         -1.280610
 Vib (Bot)   14  0.251620D+00         -0.599255         -1.379836
 Vib (V=0)       0.340785D+03          2.532480          5.831251
 Vib (V=0)    1  0.444689D+01          0.648057          1.492206
 Vib (V=0)    2  0.348569D+01          0.542289          1.248666
 Vib (V=0)    3  0.261436D+01          0.417366          0.961021
 Vib (V=0)    4  0.143539D+01          0.156968          0.361433
 Vib (V=0)    5  0.142834D+01          0.154830          0.356510
 Vib (V=0)    6  0.125771D+01          0.099580          0.229291
 Vib (V=0)    7  0.123033D+01          0.090023          0.207286
 Vib (V=0)    8  0.120432D+01          0.080741          0.185912
 Vib (V=0)    9  0.117624D+01          0.070496          0.162322
 Vib (V=0)   10  0.113072D+01          0.053354          0.122852
 Vib (V=0)   11  0.109794D+01          0.040577          0.093432
 Vib (V=0)   12  0.108976D+01          0.037331          0.085957
 Vib (V=0)   13  0.107202D+01          0.030204          0.069548
 Vib (V=0)   14  0.105974D+01          0.025201          0.058027
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.681187D+06          5.833267         13.431593
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    33             3    32                                       11         111111111 1  111                                   
     7    65             1    09                                       87         444333222 2  000  998   777 6 5 55543333 22    1   
     5    09             7    19                                       18         730760954 0  996  209   651 6 9 61049642 54    075 
     4    97             6    58                                       74         659937992 9  333  894   168 2 6 07173878 07    003 
 
     X    XX             X    XX                                       XX         XXXXXXXXX X  XXX  XXX   XXX X X XXXXXXXX XX    XXX 
     X    XX             X                                             XX         XXXX  X   X  X      X              X               
          XX             X                                             XX         XX X                               X               
                         X                                             XX            X                                               
                         X                                             XX            X                                               
                         X                                              X            X                                               
                         X                                              X            X                                               
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007738   -0.000008173   -0.000001522
      2        8           0.000001648   -0.000001295    0.000001220
      3        8           0.000001751    0.000002442    0.000001220
      4        6           0.000477780    0.008318076    0.000708473
      5        6          -0.000037645    0.008343015   -0.000231519
      6        6           0.000000992   -0.000001732   -0.000001707
      7        8           0.000004496   -0.000004917    0.000001812
      8        8           0.000005405    0.000002382   -0.000001042
      9        8          -0.000004796    0.000001437    0.000004323
     10        8          -0.000001287    0.000004163    0.000000540
     11        1          -0.000391200   -0.008323578   -0.000567945
     12        1          -0.000045168   -0.008343739    0.000085983
     13        1           0.000000009    0.000007618   -0.000003661
     14        1          -0.000001640   -0.000000241    0.000004678
     15        1          -0.000000508    0.000001804   -0.000000544
     16        1          -0.000002098    0.000002738   -0.000000309
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008343739 RMS     0.002410770
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863151D+02  0.509482D+00  0.241517D+01
      2   0.509482D+00  0.773604D+02 -0.927232D+00
      3   0.241517D+01 -0.927232D+00  0.527447D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.203429D+01 -0.104809D+01 -0.602168D+01
      2  -0.280057D+01 -0.110006D+01 -0.402074D+01
      3  -0.119353D+02 -0.143454D+01 -0.382968D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.115109D+02  0.162379D+02 -0.830924D+01
      2   0.489157D+01 -0.919532D+01  0.551708D+01
      3   0.661931D+01 -0.704258D+01  0.279216D+01
      4   0.173751D+02 -0.349951D+01  0.950873D-01
      5  -0.780515D+01  0.775307D+00 -0.466936D+01
      6  -0.301436D+00  0.126010D+01  0.143634D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.212079D+01 -0.710929D+00 -0.136489D+00  0.261605D+01  0.189796D+01
      2  -0.710929D+00  0.229087D+01  0.120147D+00  0.189796D+01  0.543247D+01
      3  -0.136489D+00  0.120147D+00  0.437786D+00 -0.401944D-01 -0.400384D+00
                 6             7             8             9            10 
      1  -0.401944D-01 -0.856980D+00  0.569113D+00  0.458513D+00 -0.287257D+01
      2  -0.400384D+00  0.569113D+00 -0.509740D+00  0.290278D+00 -0.221965D+01
      3   0.254285D+00  0.458513D+00  0.290278D+00 -0.592980D+00  0.203799D+00
                11            12            13            14            15 
      1  -0.221965D+01  0.203799D+00 -0.562575D+01 -0.694586D+00  0.102136D+00
      2  -0.119897D+01  0.120102D+00 -0.694586D+00 -0.116813D+02  0.409640D+00
      3   0.120102D+00 -0.547486D+00  0.102136D+00  0.409640D+00 -0.197669D+01
                16            17            18            19            20 
      1   0.334745D+00  0.896513D-01 -0.501863D+00  0.925384D+01 -0.296696D+00
      2   0.896513D-01  0.444062D+00 -0.264828D+01 -0.296696D+00  0.611182D+00
      3  -0.501863D+00 -0.264828D+01  0.497310D+00  0.282129D+00  0.645515D-01
                21            22            23            24            25 
      1   0.282129D+00 -0.249926D+01  0.107015D+01  0.204538D-01  0.115842D+01
      2   0.645515D-01  0.107015D+01 -0.356209D+01  0.122216D+00 -0.269455D+00
      3   0.126730D+01  0.204538D-01  0.122216D+00 -0.152211D+00  0.227742D+01
                26            27            28            29            30 
      1  -0.269455D+00  0.227742D+01  0.410093D+01 -0.922109D+00 -0.777198D+00
      2   0.185771D+00  0.195752D+00 -0.922109D+00 -0.171394D+01 -0.448560D+00
      3   0.195752D+00  0.426216D+00 -0.777198D+00 -0.448560D+00  0.143761D+01
                31            32            33            34            35 
      1  -0.134045D+01 -0.244901D+01  0.555740D-01 -0.176164D+01 -0.999935D+00
      2  -0.244901D+01 -0.243402D+01 -0.346672D+00 -0.999935D+00  0.214198D-01
      3   0.555740D-01 -0.346672D+00  0.184826D-01  0.177167D+01 -0.665173D+00
                36            37            38            39            40 
      1   0.177167D+01 -0.455885D+01  0.125423D+01  0.495540D+00 -0.876372D+00
      2  -0.665173D+00  0.125423D+01  0.195246D+01  0.316273D-01  0.242528D+01
      3   0.633799D+01  0.495540D+00  0.316273D-01 -0.135664D+01  0.194274D+00
                41            42            43            44            45 
      1   0.242528D+01  0.194274D+00  0.100391D+01 -0.815211D+00 -0.202584D+01
      2  -0.109754D+01  0.489759D+00 -0.815211D+00  0.400027D+00  0.492454D+00
      3   0.489759D+00  0.598585D+00 -0.202584D+01  0.492454D+00 -0.658703D+01
                46            47            48            49            50 
      1   0.687846D+01 -0.266655D+01  0.107955D+01 -0.406380D+01 -0.142020D+01
      2  -0.266655D+01  0.104395D+01 -0.695855D-01 -0.142020D+01  0.300914D+00
      3   0.107955D+01 -0.695855D-01  0.709211D+00 -0.236332D+00 -0.312434D+00
                51            52            53            54            55 
      1  -0.236332D+00  0.181193D+01  0.106807D+00  0.401289D+00 -0.151123D+02
      2  -0.312434D+00  0.106807D+00  0.338636D+00 -0.579342D+00  0.164409D+01
      3  -0.760149D+00  0.401289D+00 -0.579342D+00  0.886936D+00 -0.136561D+01
                56            57            58            59            60 
      1   0.164409D+01 -0.136561D+01  0.185093D+01 -0.227233D+01  0.124708D+00
      2  -0.388939D+01  0.176218D+00 -0.227233D+01  0.193482D+01 -0.337991D+00
      3   0.176218D+00 -0.241931D+01  0.124708D+00 -0.337991D+00  0.799250D+00
                61            62            63            64            65 
      1  -0.210790D+01  0.175298D-01 -0.346140D+01  0.528937D+01  0.154238D+01
      2   0.175298D-01 -0.817650D+00  0.547487D+00  0.154238D+01  0.470079D+01
      3  -0.346140D+01  0.547487D+00 -0.166954D+01  0.562911D+00  0.208834D-01
                66            67            68            69            70 
      1   0.562911D+00  0.764666D+00  0.379408D+01 -0.170225D+00  0.113097D+01
      2   0.208834D-01  0.379408D+01  0.178911D+01  0.447545D+00  0.461980D+00
      3   0.172903D+00 -0.170225D+00  0.447545D+00 -0.216720D+00  0.663130D+00
                71            72            73            74            75 
      1   0.461980D+00  0.663130D+00  0.267317D+01  0.163155D+01  0.239242D+00
      2   0.126551D+01  0.109482D+01  0.163155D+01  0.145061D+01 -0.239461D+00
      3   0.109482D+01  0.226108D+00  0.239242D+00 -0.239461D+00  0.773205D+00
                76            77            78            79            80 
      1   0.240158D+01 -0.162346D+01 -0.372707D+00  0.659868D+00  0.792352D-01
      2  -0.162346D+01  0.725379D+01  0.567829D-01  0.792352D-01  0.268504D+00
      3  -0.372707D+00  0.567829D-01  0.338723D+00 -0.196080D+00  0.119979D+01
                81            82            83            84            85 
      1  -0.196080D+00 -0.807288D+01 -0.142266D+01  0.376581D-01  0.574806D+00
      2   0.119979D+01 -0.142266D+01 -0.136080D+01  0.130439D+00 -0.367089D+00
      3   0.351012D+00  0.376581D-01  0.130439D+00 -0.110502D+00  0.235352D+00
                86            87            88            89            90 
      1  -0.367089D+00  0.235352D+00 -0.189359D+00  0.163695D+00  0.163438D+00
      2  -0.752684D+01  0.113730D+00  0.163695D+00 -0.185768D+00 -0.192783D+01
      3   0.113730D+00 -0.114775D+01  0.163438D+00 -0.192783D+01  0.125083D+00
                91            92            93            94            95 
      1  -0.160916D+01  0.136211D+00 -0.107530D+01  0.226689D+00  0.412506D+00
      2   0.136211D+00  0.827778D-02  0.543804D-01  0.412506D+00  0.710787D+00
      3  -0.107530D+01  0.543804D-01 -0.128444D+01 -0.769235D-01 -0.113535D+01
                96            97            98            99           100 
      1  -0.769235D-01 -0.147092D+01  0.309399D+00 -0.623355D+00  0.170085D+01
      2  -0.113535D+01  0.309399D+00 -0.188556D+01  0.669465D+00 -0.216245D+00
      3   0.571778D+00 -0.623355D+00  0.669465D+00 -0.782877D+01  0.115594D+01
               101           102           103           104           105 
      1  -0.216245D+00  0.115594D+01 -0.141539D+00 -0.340057D+00 -0.128281D-01
      2  -0.120174D+00 -0.409229D-01 -0.340057D+00  0.318345D+00  0.109748D+01
      3  -0.409229D-01  0.132814D+01 -0.128281D-01  0.109748D+01  0.266671D+00
               106           107           108           109           110 
      1   0.175523D+01  0.243041D+00  0.101606D+01  0.930342D+01 -0.452314D+00
      2   0.243041D+00  0.157555D+01  0.140481D+00 -0.452314D+00  0.133666D+01
      3   0.101606D+01  0.140481D+00  0.815855D+01 -0.109112D+00 -0.808621D-01
               111           112           113           114           115 
      1  -0.109112D+00 -0.267327D+00  0.342880D+00 -0.646092D-01  0.247117D+00
      2  -0.808621D-01  0.342880D+00 -0.165595D+01  0.905118D-01 -0.111007D+00
      3   0.344153D+00 -0.646092D-01  0.905118D-01 -0.503615D+00 -0.315353D-01
               116           117           118           119           120 
      1  -0.111007D+00 -0.315353D-01  0.199678D+01  0.129251D+01  0.821938D-02
      2   0.243069D+00 -0.506782D+00  0.129251D+01  0.771472D+00  0.474867D-01
      3  -0.506782D+00  0.109907D+00  0.821938D-02  0.474867D-01  0.675611D+00
               121           122           123           124           125 
      1   0.381548D+01  0.101389D+01  0.120373D+00 -0.146305D+00  0.333721D-01
      2   0.101389D+01  0.440813D+01 -0.397896D-01  0.333721D-01 -0.544226D-01
      3   0.120373D+00 -0.397896D-01  0.586799D+00  0.640689D+00  0.351981D+00
               126           127           128           129           130 
      1   0.640689D+00 -0.193419D+01  0.782586D+00 -0.105917D+00  0.194444D+01
      2   0.351981D+00  0.782586D+00 -0.249237D+01  0.242283D-02 -0.903166D+00
      3   0.914077D-01 -0.105917D+00  0.242283D-02 -0.248426D+00  0.223081D-01
               131           132           133           134           135 
      1  -0.903166D+00  0.223081D-01 -0.383172D+00  0.464877D-01  0.597706D-01
      2   0.614257D+01 -0.138893D+00  0.464877D-01 -0.532112D+00  0.838458D+00
      3  -0.138893D+00  0.106043D+01  0.597706D-01  0.838458D+00 -0.541183D-01
               136           137           138           139           140 
      1  -0.491610D+01  0.623600D+00 -0.495366D+00  0.619865D+00 -0.886833D+00
      2   0.623600D+00 -0.339061D+01  0.111133D+00 -0.886833D+00 -0.333128D+00
      3  -0.495366D+00  0.111133D+00 -0.117912D+01  0.986398D-01 -0.116156D+00
               141           142           143           144 
      1   0.986398D-01 -0.118591D+01  0.752971D-01 -0.611906D+00
      2  -0.116156D+00  0.752971D-01 -0.757293D+00  0.506446D+00
      3   0.262131D+00 -0.611906D+00  0.506446D+00 -0.478082D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.223056D-01 -0.576881D+00  0.109873D+01 -0.272172D+01  0.101595D+01
      2   0.129158D+01 -0.158297D+01 -0.537748D+01 -0.250578D+01 -0.405387D+00
      3   0.843545D-01 -0.451861D+01  0.825713D+00 -0.842038D+01 -0.611626D+01
                 6             7             8             9            10 
      1   0.809339D+01 -0.923087D+00  0.103492D+02 -0.196746D+01  0.513165D+00
      2   0.389294D+00 -0.137177D+02  0.298599D+01 -0.285149D+01 -0.237290D+00
      3   0.147210D+01  0.281309D+01  0.164273D+01 -0.185301D+01  0.826682D+01
                11            12            13            14            15 
      1   0.308404D+00 -0.719586D+00  0.387483D+00  0.141804D+01 -0.105265D+02
      2   0.263125D+00  0.342721D+01  0.200206D+00  0.596553D+00 -0.178685D+01
      3  -0.692934D+00 -0.703343D+00  0.187089D+02  0.173606D+02 -0.995592D+00
                16            17            18            19            20 
      1   0.141327D+01 -0.556935D+00  0.126471D+01  0.418613D+00 -0.387868D-01
      2  -0.267375D+01 -0.513687D+01  0.113676D+01  0.123784D+01  0.781063D-01
      3  -0.177910D+01 -0.545000D+00  0.519516D+01 -0.234674D+01 -0.844016D+01
                21            22            23            24            25 
      1  -0.224679D+00  0.479136D+00 -0.674877D+00 -0.244975D+01  0.173025D+01
      2   0.927021D+01  0.781738D+00  0.238401D+00 -0.151055D+01  0.497086D+01
      3  -0.181356D+00  0.731174D+00  0.150015D+02 -0.194303D+00 -0.898232D+00
                26            27            28            29            30 
      1   0.136241D+01  0.380247D+00  0.172368D+01  0.632139D+00  0.155699D+01
      2  -0.178680D+01  0.166074D+01 -0.190404D+01  0.100079D+00  0.239437D+01
      3  -0.132007D+01 -0.131455D+01 -0.763297D+00 -0.200858D+01 -0.154848D+00
                31            32            33            34            35 
      1   0.271473D+01  0.156010D+01 -0.167586D+01  0.944203D-01  0.181941D+01
      2   0.135886D+01 -0.172281D+00 -0.237500D+01 -0.317622D+01 -0.100352D+01
      3   0.613428D+01  0.122398D+01 -0.463986D+00  0.917655D-01 -0.104420D+01
                36            37            38            39            40 
      1  -0.420206D+00 -0.184587D+01  0.161500D+01 -0.155553D+01  0.949372D+00
      2   0.281771D+01  0.270354D+00 -0.252696D+00  0.264753D+01 -0.101403D+01
      3   0.114173D+01  0.123517D+01 -0.135969D+01  0.452103D+00  0.683982D+01
                41            42            43            44            45 
      1  -0.545092D+00 -0.153083D+01 -0.487187D-01  0.212206D+01  0.854560D+00
      2  -0.422883D+00  0.201368D+01 -0.330309D+01 -0.537333D+00  0.303974D+01
      3   0.185369D+01  0.330273D+00  0.195487D+00 -0.574690D+00 -0.556085D+00
                46            47            48            49            50 
      1   0.759034D+00 -0.440304D+01 -0.720402D+00 -0.284951D+01 -0.111178D+01
      2   0.276934D+01  0.200234D+01 -0.885908D+01  0.194651D+01  0.803715D+00
      3  -0.632999D+01  0.713755D+01 -0.114100D+01  0.252273D+01 -0.395358D+01
                51            52            53            54            55 
      1   0.599660D+01  0.241717D+01  0.129479D+02  0.106353D+01 -0.101054D+01
      2   0.161356D+01 -0.132946D+02 -0.263104D+01 -0.528663D+01  0.118002D+01
      3   0.128979D+01 -0.109220D+01  0.521082D+01 -0.804960D+00  0.966966D+01
                56            57            58            59            60 
      1   0.207214D+01  0.103488D+00  0.788663D+00 -0.474110D+00 -0.348826D+01
      2  -0.692063D+00  0.142442D+02 -0.790484D+00  0.829899D+00 -0.151710D+01
      3  -0.203311D+02  0.109890D+01 -0.266932D+01  0.899013D+01 -0.983941D+00
                61            62            63            64            65 
      1  -0.270650D+01  0.137828D+01 -0.102156D+01 -0.868026D+00 -0.233959D+00
      2   0.510973D+01  0.110445D+01  0.488796D+01  0.769953D+00  0.501582D+00
      3   0.793174D+00 -0.435352D+01  0.311181D+01  0.116755D+02 -0.109276D+02
                66            67            68            69            70 
      1  -0.247268D+01 -0.705200D+00 -0.250735D+01 -0.401938D+01 -0.131457D+01
      2   0.388693D+01 -0.791318D+00  0.371181D+00  0.186519D+01 -0.144359D+01
      3   0.540041D+00 -0.370004D+01  0.488132D+01 -0.381959D+00  0.243222D+01
                71            72            73            74            75 
      1   0.301815D+01 -0.176010D+01 -0.153139D+01 -0.760731D+00 -0.201022D+00
      2   0.132295D+01  0.968033D+00  0.198801D+00 -0.551196D+00  0.201611D+01
      3  -0.145505D+01 -0.232932D+00  0.135798D+02  0.760871D+01  0.148093D+01
                76            77            78            79            80 
      1  -0.646109D+00  0.193362D+01 -0.617897D+01 -0.649158D-01  0.104956D+01
      2   0.606659D+00  0.167979D+00 -0.212205D+01 -0.295832D+01 -0.105407D+00
      3   0.936875D+01  0.845294D+01 -0.197785D-01  0.228754D+01  0.188089D+01
                81            82            83            84            85 
      1   0.495809D+00  0.378864D+00  0.827403D+00 -0.732559D+00 -0.442970D+00
      2  -0.131658D+00  0.399238D+00 -0.353949D+00  0.367388D+01 -0.332803D+00
      3   0.128417D+01  0.226076D+02 -0.574450D+01 -0.687079D-01  0.579491D+01
                86            87            88            89            90 
      1  -0.854249D+00 -0.771295D+01 -0.172130D+01 -0.235031D+01 -0.265820D+00
      2  -0.204431D+00  0.405613D+00 -0.112105D+01  0.388296D+01  0.433159D+00
      3  -0.839926D+01  0.548124D-01  0.112698D+01 -0.144852D+01 -0.327676D+01
                91            92            93            94            95 
      1   0.737329D-01  0.286580D+00  0.668341D+00  0.435444D+00 -0.703687D+00
      2  -0.190959D+01  0.801314D-01 -0.228780D+00  0.445256D-02 -0.812243D+00
      3  -0.105467D+01 -0.436000D+00 -0.494510D+00  0.865637D+00 -0.479437D+00
                96            97            98            99           100 
      1   0.404923D-01  0.201415D+00  0.302672D+01  0.255351D+01 -0.230602D+00
      2   0.110901D+00 -0.347970D+01  0.441586D+00 -0.438430D+01 -0.198244D+01
      3   0.662202D+00 -0.103509D+01  0.140494D+01 -0.950266D+00  0.651853D+00
               101           102           103           104           105 
      1   0.353675D+00 -0.655390D+00  0.190477D+00 -0.142245D+00  0.736046D-01
      2  -0.165086D+00 -0.263480D+00  0.149736D+00 -0.578694D+00 -0.813679D-01
      3  -0.877499D+00  0.501846D+00  0.672109D+00 -0.222591D+00  0.681101D+00
               106           107           108           109           110 
      1  -0.382057D+00  0.290026D+01 -0.299404D+01 -0.725214D+00 -0.573841D-01
      2  -0.398205D+01  0.491660D-01 -0.456379D+01 -0.845218D+00  0.140409D+00
      3   0.688682D+00  0.795466D+00  0.336424D+00 -0.288428D+02  0.764224D+01
               111           112           113           114           115 
      1   0.104127D+01 -0.552910D-01  0.519736D-01 -0.515574D+00  0.191302D+00
      2  -0.296058D+01  0.141837D+00 -0.273653D+00  0.354128D+00 -0.295998D+01
      3   0.347467D+00  0.367104D+01 -0.201660D+01  0.209171D+00 -0.929546D+00
               116           117           118           119           120 
      1   0.527499D+00  0.148614D+00  0.272635D+00 -0.174132D+00 -0.856624D+00
      2   0.446275D+00  0.491743D-01  0.477040D-01 -0.113567D+00  0.100890D+01
      3   0.507744D+00 -0.219731D+00 -0.426817D+01 -0.152530D+01 -0.135721D+00
               121           122           123           124           125 
      1  -0.393719D-01  0.699115D+00  0.132868D+00  0.209808D+00  0.128819D+01
      2   0.815237D-01  0.941421D-01  0.275446D+01  0.288778D+00  0.155430D+01
      3  -0.203506D+01 -0.200995D+02 -0.472217D-01  0.161965D-01  0.434268D+00
               126           127           128           129           130 
      1   0.503221D-01  0.109353D+00 -0.767984D-01  0.985176D+00 -0.183943D+00
      2   0.600295D-01 -0.485014D+00  0.136153D+00 -0.623474D+00  0.309227D+00
      3  -0.964679D+00 -0.103280D+02  0.602176D+01 -0.227475D+00  0.838277D+01
               131           132           133           134           135 
      1   0.212918D+00 -0.252990D+01 -0.729216D-01 -0.882167D+00  0.115939D+00
      2  -0.295387D+00  0.790191D+00 -0.134042D+01  0.780910D+00  0.145397D+00
      3  -0.116777D+02  0.178524D+00 -0.142079D+01  0.759750D+00 -0.773211D+00
               136           137           138           139           140 
      1   0.198486D+01  0.226370D+00  0.268447D+01  0.491227D+00  0.584698D+00
      2   0.406352D+00 -0.534316D-01  0.211623D+01 -0.146336D+00  0.630891D-01
      3  -0.140926D+02 -0.102313D+02 -0.167688D+01 -0.370512D+01 -0.454313D+01
               141           142           143           144 
      1  -0.816098D-01  0.123209D+01  0.682790D+00  0.103879D+01
      2  -0.904108D+00 -0.811323D-01 -0.162378D+01  0.812325D+00
      3  -0.584349D+00 -0.329020D+01 -0.189557D+01 -0.123105D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.222894D+02  0.378377D+01 -0.243809D+00  0.241151D+01  0.246556D+02
      2   0.126910D+02 -0.609592D+01  0.128356D+01 -0.412798D+00 -0.311958D+02
      3   0.959833D+01  0.231215D+01 -0.103975D+01 -0.199871D+01  0.654022D+01
      4  -0.388420D+01 -0.170734D+00  0.192295D+00 -0.366107D+01  0.874014D+01
      5  -0.914955D+00 -0.523516D+00 -0.840115D+01 -0.101166D+00  0.149815D+00
      6  -0.284426D+00  0.433431D+00 -0.355649D+01  0.887570D+00 -0.114067D+01
                 6             7             8             9            10 
      1  -0.956268D+00 -0.467179D+01 -0.253069D+01 -0.364092D+01 -0.338863D+01
      2  -0.209999D+00  0.343049D+01  0.252620D+01 -0.692686D+01  0.645991D+01
      3   0.116627D+01  0.124130D+01  0.449320D-02  0.105678D+02 -0.307129D+01
      4  -0.454686D+00  0.204132D+01 -0.152550D+01  0.410663D+00 -0.208334D+01
      5  -0.176022D+01  0.376812D+01  0.178895D+01 -0.315598D+01  0.367134D+00
      6  -0.956557D+01 -0.619661D+00  0.221934D+01  0.178720D+01 -0.319575D+00
                11            12            13            14            15 
      1  -0.917928D+01  0.242682D+00 -0.152037D+02 -0.365161D+02  0.654950D-01
      2   0.827776D+01 -0.288726D+00  0.950532D+01  0.530891D+02 -0.724975D-01
      3   0.901523D+00  0.460448D-01  0.569839D+01 -0.165730D+02  0.700243D-02
      4   0.152212D+02 -0.643543D+00  0.142459D+02 -0.257935D+02  0.498858D+00
      5  -0.106887D+00  0.536293D+01  0.709783D-01 -0.123781D+00 -0.364797D+01
      6  -0.352597D-02  0.163485D+01 -0.995031D+00  0.114739D+01  0.160151D+02
                16            17            18            19            20 
      1   0.851060D+00  0.153382D+01 -0.101385D+02  0.656134D+02 -0.165502D+01
      2  -0.112064D+01 -0.135098D+01  0.733811D+01 -0.392789D+02  0.113016D+01
      3   0.269581D+00 -0.182841D+00  0.280041D+01 -0.263346D+02  0.524861D+00
      4  -0.643737D+00  0.376031D+00 -0.683153D+01 -0.357006D+01  0.102080D+02
      5   0.294053D+01 -0.819206D+01  0.113723D+01  0.111475D+01  0.584310D+00
      6   0.113216D+01  0.140245D+02 -0.147262D+01  0.625844D+00 -0.201078D+00
                21            22            23            24            25 
      1   0.127305D+01 -0.106372D+02  0.251690D+01  0.206821D-01  0.418314D+01
      2  -0.799403D+00  0.539859D+01  0.598565D+00  0.221713D+00 -0.322381D+01
      3  -0.473647D+00  0.523864D+01 -0.311547D+01 -0.242395D+00 -0.959325D+00
      4   0.413988D+00  0.113167D+02 -0.171847D+02  0.860059D+00 -0.352988D-01
      5   0.176186D+02 -0.730455D-02  0.669310D+00 -0.127872D+01  0.189387D+02
      6   0.253737D+00  0.379838D+00 -0.236309D+00  0.441559D+01 -0.194880D+01
                26            27            28            29            30 
      1   0.692583D+00  0.100540D+02 -0.794704D+00  0.379736D+01  0.221516D+01
      2   0.152787D+00 -0.104564D+02  0.894281D+00 -0.915035D+01  0.219797D+01
      3  -0.845370D+00  0.402415D+00 -0.995763D-01  0.535298D+01 -0.441313D+01
      4   0.792869D+00 -0.169874D+01 -0.455495D+01 -0.505806D+01 -0.138363D+01
      5   0.541837D+00  0.311080D+01 -0.213563D+01 -0.352595D-01 -0.422703D+00
      6   0.348181D+01 -0.530613D+00  0.918216D+00 -0.170799D+01 -0.625724D+00
                31            32            33            34            35 
      1  -0.275269D+01 -0.139164D+01  0.108880D+01  0.968537D+00 -0.236282D+01
      2  -0.253189D+01 -0.290884D+01 -0.680297D+00  0.173468D+01 -0.407879D+01
      3   0.528458D+01  0.430048D+01 -0.408506D+00 -0.270322D+01  0.644161D+01
      4  -0.957466D+01 -0.118482D+02  0.434965D+00 -0.584862D+01 -0.126143D+00
      5  -0.303027D+00 -0.577160D+00 -0.281803D+01  0.159721D+01  0.740445D+00
      6   0.226679D+00 -0.129474D+00 -0.250888D+01  0.287810D+01 -0.231251D+00
                36            37            38            39            40 
      1   0.100155D+02  0.238155D+01 -0.471352D+01  0.339976D+01  0.342922D+01
      2   0.775280D+01 -0.180204D+01  0.748743D+01  0.150851D+01  0.525681D+00
      3  -0.177683D+02 -0.579509D+00 -0.277391D+01 -0.490827D+01 -0.395490D+01
      4   0.157021D+01  0.230286D+01 -0.434810D+01  0.157907D+00 -0.846316D+01
      5   0.267787D+01  0.130050D+00 -0.602973D+00  0.782246D-01  0.610570D+00
      6   0.789304D+01 -0.115199D+01 -0.123054D+00  0.209277D+01  0.168994D+01
                41            42            43            44            45 
      1  -0.329159D+00 -0.128701D+01  0.527633D+01  0.121675D+01  0.111442D+02
      2  -0.591892D+01 -0.120521D+01  0.800144D+00  0.162761D+01  0.814277D+01
      3   0.624808D+01  0.249222D+01 -0.607647D+01 -0.284436D+01 -0.192869D+02
      4   0.585081D+01  0.557186D+00  0.297222D+01 -0.995255D+00 -0.317266D+01
      5  -0.397855D+00  0.257692D+01  0.127178D+01 -0.154280D+01  0.269221D+01
      6  -0.381062D+00 -0.201261D+01 -0.307104D+01  0.162054D+01 -0.717793D+01
                46            47            48            49            50 
      1  -0.487558D+02  0.443282D+01 -0.235752D+01  0.160710D+02  0.152001D+02
      2   0.308333D+02  0.101304D+00  0.538664D+01 -0.111533D+02 -0.185755D+02
      3   0.179225D+02 -0.453412D+01 -0.302912D+01 -0.491772D+01  0.337544D+01
      4   0.592320D+01 -0.123219D+02  0.899936D-01  0.322042D+01  0.252164D+01
      5  -0.579390D+01  0.106623D+01 -0.133406D+02  0.213675D+01  0.145429D+01
      6  -0.377335D+00 -0.557327D+00  0.294893D+01  0.178508D+01  0.156039D+01
                51            52            53            54            55 
      1   0.711520D+00 -0.107232D+02  0.175878D+01 -0.847079D+01  0.989599D+02
      2  -0.386238D+00  0.795950D+01  0.221220D+00 -0.254992D+01 -0.594085D+02
      3  -0.325282D+00  0.276370D+01 -0.198000D+01  0.110207D+02 -0.395513D+02
      4   0.176383D+01  0.588796D+00 -0.295454D+01  0.131023D+01 -0.240836D+01
      5   0.481667D+01  0.103637D+01  0.516017D+00 -0.699535D+01  0.814175D+01
      6  -0.860876D+01 -0.713492D+00  0.228040D+01 -0.569983D+00  0.215513D+00
                56            57            58            59            60 
      1  -0.894209D+01  0.555975D+01 -0.953667D+01  0.790467D+01 -0.559701D+00
      2   0.686117D+01 -0.561853D+01  0.723382D+01 -0.860740D+00  0.719135D+00
      3   0.208093D+01  0.587774D-01  0.230286D+01 -0.704393D+01 -0.159434D+00
      4   0.245827D+02 -0.491674D+00  0.177823D+02 -0.612064D+01  0.212396D+01
      5  -0.132217D+01  0.245686D+02 -0.967770D+00  0.184030D+01 -0.381027D+01
      6   0.547744D+00 -0.367100D+00  0.930964D+00  0.268384D+00  0.559395D+01
                61            62            63            64            65 
      1   0.925567D+01 -0.137532D+01  0.152904D+02  0.137759D+02 -0.106259D+02
      2  -0.806672D+01  0.564796D+00 -0.145934D+02 -0.558760D+01  0.197405D+02
      3  -0.118895D+01  0.810523D+00 -0.696998D+00 -0.818834D+01 -0.911460D+01
      4  -0.100222D+01  0.414401D+01 -0.537283D+00  0.155526D+02  0.176893D+02
      5   0.254367D+02 -0.222406D+01  0.108410D+02  0.132854D+01  0.119676D+00
      6   0.244940D+01  0.405665D+01  0.102258D+01  0.145110D+01 -0.426258D+00
                66            67            68            69            70 
      1   0.542125D+00 -0.633647D+01  0.345270D+01 -0.289155D+01  0.248659D+01
      2  -0.182555D+01  0.121509D+02  0.349965D+01  0.827089D+00 -0.965250D+00
      3   0.128342D+01 -0.581438D+01 -0.695235D+01  0.206447D+01 -0.152134D+01
      4   0.151084D+01  0.169846D+02  0.186746D+02  0.944401D+00  0.478852D+01
      5   0.715827D+01 -0.612696D-01  0.109724D+01  0.345757D+01  0.625315D+01
      6   0.347283D+01 -0.948724D+00  0.259877D+01  0.710348D+01  0.381929D+01
                71            72            73            74            75 
      1  -0.215833D+01 -0.325240D+01 -0.538208D+01 -0.277532D+01 -0.213346D+01
      2   0.555252D+01 -0.147720D+01  0.591782D+01  0.719541D+00 -0.684988D+00
      3  -0.339418D+01  0.472960D+01 -0.535740D+00  0.205578D+01  0.281845D+01
      4   0.394499D+01  0.470178D+01  0.369172D+01  0.188054D+01  0.181665D+01
      5   0.336711D+01  0.148777D+01 -0.159018D+01  0.583755D+00  0.439500D+01
      6   0.717739D+01  0.241181D+01  0.196271D+01 -0.618699D+00  0.139934D+00
                76            77            78            79            80 
      1  -0.208331D+01 -0.191018D+02  0.177226D+01 -0.105496D+01 -0.104570D+01
      2  -0.258361D+01  0.326049D+02  0.925067D+00  0.108353D+01 -0.893268D+00
      3   0.466692D+01 -0.135030D+02 -0.269733D+01 -0.285674D-01  0.193897D+01
      4   0.154867D+02 -0.237895D+02 -0.717365D+00  0.129253D+01 -0.251091D+00
      5   0.103475D+00 -0.660932D+00 -0.442507D+01  0.374081D+01 -0.300226D+01
      6  -0.168600D+01  0.613595D+00  0.101636D+02 -0.142742D+01  0.822300D+01
                81            82            83            84            85 
      1  -0.585658D+01  0.105158D+02  0.365326D+01  0.341757D+00 -0.184876D+01
      2   0.151952D+01 -0.302909D+01 -0.158979D+01 -0.577414D+00  0.220690D+01
      3   0.433706D+01 -0.748673D+01 -0.206347D+01  0.235657D+00 -0.358144D+00
      4  -0.316082D+01  0.199502D+02  0.201773D+02 -0.743131D+00  0.859880D+01
      5  -0.315473D+00  0.190989D+00 -0.732383D+00  0.684917D+01 -0.118647D+01
      6   0.405453D+00  0.292689D+00 -0.267016D+00  0.143295D+00 -0.158882D+01
                86            87            88            89            90 
      1  -0.249411D+02  0.463191D+00  0.963405D-01 -0.618769D+00 -0.812464D+01
      2   0.382448D+02 -0.335550D+00 -0.109836D+01  0.233493D+00  0.478235D+01
      3  -0.133037D+02 -0.127641D+00  0.100202D+01  0.385276D+00  0.334228D+01
      4   0.191422D+02 -0.135583D+01 -0.246210D+00  0.248874D+00  0.613224D+01
      5  -0.188815D+01  0.172297D+01  0.399121D+01  0.657907D+01 -0.312897D+00
      6  -0.225261D+01  0.141001D+02 -0.266333D+00  0.125980D+02 -0.744404D+00
                91            92            93            94            95 
      1  -0.186146D+01 -0.788388D-01 -0.312648D+01 -0.128569D+00 -0.320288D+01
      2  -0.272648D+01  0.427021D+00 -0.105067D+01 -0.942024D-01  0.364269D+00
      3   0.458794D+01 -0.348182D+00  0.417715D+01  0.222771D+00  0.283861D+01
      4  -0.764483D+00  0.181001D+01 -0.142128D+01  0.256223D+01  0.116546D+01
      5   0.270480D+00 -0.646784D+00  0.466999D+01 -0.183200D+00 -0.622030D+00
      6  -0.182012D+01  0.772514D+00 -0.171824D+01  0.332294D+00 -0.207201D+01
                96            97            98            99           100 
      1   0.180568D+01 -0.364201D+01  0.332573D+01 -0.188091D+02 -0.245878D+01
      2  -0.131381D+01 -0.873571D+00 -0.106513D+01 -0.143776D+02 -0.251584D+01
      3  -0.491876D+00  0.451558D+01 -0.226060D+01  0.331867D+02  0.497462D+01
      4  -0.127926D+01 -0.936799D+00 -0.265713D+01 -0.103678D-01  0.118386D+01
      5   0.425072D+00  0.381098D+01  0.308044D+00 -0.562892D+01  0.288489D+00
      6   0.612448D+01 -0.897158D+00  0.532752D+01 -0.991622D+01  0.155040D+01
               101           102           103           104           105 
      1   0.537119D+00 -0.339914D+01  0.552164D+00 -0.284697D+01 -0.118039D+01
      2  -0.427873D+00 -0.102751D+01 -0.170672D-01 -0.172404D+00  0.190812D+01
      3  -0.109246D+00  0.442665D+01 -0.535096D+00  0.301938D+01 -0.727731D+00
      4   0.218612D+01  0.130030D+01  0.232339D+01 -0.242536D+00 -0.125036D+01
      5   0.350461D+00  0.496178D+01 -0.151019D+00 -0.507114D+00 -0.158008D+00
      6   0.624701D+00  0.141766D+01  0.653449D+00  0.134723D+01  0.593146D+01
               106           107           108           109           110 
      1  -0.536511D+01 -0.211463D+01 -0.205181D+02 -0.121030D+02  0.374532D+01
      2  -0.912039D+00  0.224772D+01 -0.147536D+02  0.615351D+01 -0.455458D+01
      3   0.627715D+01 -0.133093D+00  0.352717D+02  0.594951D+01  0.809267D+00
      4   0.132715D+01 -0.230887D+01  0.860869D+00 -0.171092D+02 -0.126053D+02
      5   0.390535D+01 -0.557298D-01 -0.554638D+01 -0.485170D+00  0.411944D+00
      6   0.120886D+01  0.481165D+01  0.876720D+01 -0.435912D+00  0.347013D+00
               111           112           113           114           115 
      1  -0.445314D+00  0.158351D+01 -0.542646D+01  0.358699D+00  0.113357D+00
      2   0.517661D-02 -0.148543D+01  0.751461D+01 -0.309394D+00  0.129554D-01
      3   0.440137D+00 -0.980807D-01 -0.208816D+01 -0.493054D-01 -0.126312D+00
      4   0.444604D+00  0.471250D+00  0.136270D+01  0.875442D-01 -0.288097D+00
      5  -0.546001D+01  0.417272D-01 -0.259829D+00  0.599713D+00  0.329845D+00
      6  -0.129977D+01  0.256078D+00 -0.437615D+00  0.156079D+01 -0.158582D+00
               116           117           118           119           120 
      1   0.731236D+00 -0.202955D+01  0.972874D+01  0.660922D+01  0.493673D-01
      2  -0.685722D+00  0.555010D+00 -0.428935D+01 -0.296421D+01  0.887965D-01
      3  -0.455144D-01  0.147454D+01 -0.543939D+01 -0.364501D+01 -0.138164D+00
      4   0.169354D+00  0.355750D+00  0.770338D+01  0.581276D+01  0.312436D-01
      5   0.654702D+00  0.208210D+00 -0.169876D+00  0.810847D-01  0.244296D+01
      6   0.241803D+01 -0.413058D+00  0.806077D-03  0.395988D-01  0.128241D+01
               121           122           123           124           125 
      1   0.206883D+02  0.475109D+01  0.634407D+00 -0.767533D+00  0.712257D-01
      2  -0.120429D+02 -0.166058D+01 -0.566891D+00  0.390159D+00 -0.249443D+00
      3  -0.864541D+01 -0.309051D+01 -0.675160D-01  0.377374D+00  0.178217D+00
      4   0.709134D+01  0.220958D+02 -0.100945D+00 -0.331719D-01 -0.193107D+00
      5   0.559503D+00 -0.276077D+00  0.439445D+01  0.415904D+01  0.251671D+01
      6   0.937369D-01  0.379050D+00 -0.237805D+00  0.681367D+00  0.150146D+01
               126           127           128           129           130 
      1   0.161763D+01 -0.438451D+01  0.932397D+01 -0.696237D+00  0.711459D+01
      2  -0.178921D+01  0.465557D+01 -0.126047D+02  0.295016D+00 -0.669537D+01
      3   0.171585D+00 -0.271059D+00  0.328070D+01  0.401221D+00 -0.419214D+00
      4   0.258245D+01 -0.448043D+01 -0.108290D+01 -0.359476D+00  0.350134D+01
      5   0.259237D+00 -0.175493D+00  0.106528D+00 -0.999086D+00  0.735060D-01
      6   0.720736D-01 -0.873039D+00  0.105602D+01 -0.128422D+01  0.120126D+00
               131           132           133           134           135 
      1  -0.207270D+02  0.699519D+00 -0.448002D+00  0.189156D+01 -0.319057D+01
      2   0.310199D+02 -0.928304D+00  0.504242D+00 -0.223142D+01  0.310073D+01
      3  -0.102929D+02  0.228785D+00 -0.562394D-01  0.339856D+00  0.898421D-01
      4   0.710229D+01 -0.312739D+00 -0.698592D+00 -0.661337D+00  0.686377D+00
      5  -0.635923D+00  0.168300D+01  0.903611D+00  0.875565D+00  0.338061D+00
      6  -0.176660D+01  0.433469D+01 -0.394013D+00  0.530652D+01 -0.588423D+00
               136           137           138           139           140 
      1   0.155298D+02  0.276643D+01  0.199853D+01 -0.366251D+01  0.442854D+01
      2  -0.651105D+01 -0.769712D+01 -0.502988D+00  0.674658D+00 -0.249580D+01
      3  -0.901874D+01  0.493069D+01 -0.149554D+01  0.298785D+01 -0.193274D+01
      4  -0.169433D+02  0.133794D+02 -0.184231D+01  0.442894D+01 -0.116693D+01
      5   0.184819D+01 -0.261242D+00  0.326272D+01 -0.635275D+00  0.737896D+00
      6  -0.175488D+01  0.839285D-01 -0.453489D+01  0.277990D+00 -0.425676D+00
               141           142           143           144 
      1  -0.127184D+00  0.183147D+01  0.160273D+01  0.746290D+00
      2   0.170758D+00 -0.126541D+01 -0.195344D+01 -0.143023D+01
      3  -0.435736D-01 -0.566065D+00  0.350710D+00  0.683939D+00
      4   0.615552D+00 -0.327780D+01  0.199684D+01 -0.319918D+01
      5  -0.177810D+01  0.423171D+01 -0.236205D+01  0.161777D+01
      6   0.335143D+00 -0.216319D+01  0.254488D+01 -0.187333D+01
 Leave Link  716 at Sat Jul 24 17:07:32 2021, MaxMem= 16106127360 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863151D+02  0.509482D+00  0.241517D+01
      2   0.509482D+00  0.773604D+02 -0.927232D+00
      3   0.241517D+01 -0.927232D+00  0.527447D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.203429D+01 -0.104809D+01 -0.602168D+01
      2  -0.280057D+01 -0.110006D+01 -0.402074D+01
      3  -0.119353D+02 -0.143454D+01 -0.382968D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.115109D+02  0.162379D+02 -0.830924D+01
      2   0.489157D+01 -0.919532D+01  0.551708D+01
      3   0.661931D+01 -0.704258D+01  0.279216D+01
      4   0.173751D+02 -0.349951D+01  0.950873D-01
      5  -0.780515D+01  0.775307D+00 -0.466936D+01
      6  -0.301436D+00  0.126010D+01  0.143634D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.212079D+01 -0.710929D+00 -0.136489D+00  0.261605D+01  0.189796D+01
      2  -0.710929D+00  0.229087D+01  0.120147D+00  0.189796D+01  0.543247D+01
      3  -0.136489D+00  0.120147D+00  0.437786D+00 -0.401944D-01 -0.400384D+00
                 6             7             8             9            10 
      1  -0.401944D-01 -0.856980D+00  0.569113D+00  0.458513D+00 -0.287257D+01
      2  -0.400384D+00  0.569113D+00 -0.509740D+00  0.290278D+00 -0.221965D+01
      3   0.254285D+00  0.458513D+00  0.290278D+00 -0.592980D+00  0.203799D+00
                11            12            13            14            15 
      1  -0.221965D+01  0.203799D+00 -0.562575D+01 -0.694586D+00  0.102136D+00
      2  -0.119897D+01  0.120102D+00 -0.694586D+00 -0.116813D+02  0.409640D+00
      3   0.120102D+00 -0.547486D+00  0.102136D+00  0.409640D+00 -0.197669D+01
                16            17            18            19            20 
      1   0.334745D+00  0.896513D-01 -0.501863D+00  0.925384D+01 -0.296696D+00
      2   0.896513D-01  0.444062D+00 -0.264828D+01 -0.296696D+00  0.611182D+00
      3  -0.501863D+00 -0.264828D+01  0.497310D+00  0.282129D+00  0.645515D-01
                21            22            23            24            25 
      1   0.282129D+00 -0.249926D+01  0.107015D+01  0.204538D-01  0.115842D+01
      2   0.645515D-01  0.107015D+01 -0.356209D+01  0.122216D+00 -0.269455D+00
      3   0.126730D+01  0.204538D-01  0.122216D+00 -0.152211D+00  0.227742D+01
                26            27            28            29            30 
      1  -0.269455D+00  0.227742D+01  0.410093D+01 -0.922109D+00 -0.777198D+00
      2   0.185771D+00  0.195752D+00 -0.922109D+00 -0.171394D+01 -0.448560D+00
      3   0.195752D+00  0.426216D+00 -0.777198D+00 -0.448560D+00  0.143761D+01
                31            32            33            34            35 
      1  -0.134045D+01 -0.244901D+01  0.555740D-01 -0.176164D+01 -0.999935D+00
      2  -0.244901D+01 -0.243402D+01 -0.346672D+00 -0.999935D+00  0.214198D-01
      3   0.555740D-01 -0.346672D+00  0.184826D-01  0.177167D+01 -0.665173D+00
                36            37            38            39            40 
      1   0.177167D+01 -0.455885D+01  0.125423D+01  0.495540D+00 -0.876372D+00
      2  -0.665173D+00  0.125423D+01  0.195246D+01  0.316273D-01  0.242528D+01
      3   0.633799D+01  0.495540D+00  0.316273D-01 -0.135664D+01  0.194274D+00
                41            42            43            44            45 
      1   0.242528D+01  0.194274D+00  0.100391D+01 -0.815211D+00 -0.202584D+01
      2  -0.109754D+01  0.489759D+00 -0.815211D+00  0.400027D+00  0.492454D+00
      3   0.489759D+00  0.598585D+00 -0.202584D+01  0.492454D+00 -0.658703D+01
                46            47            48            49            50 
      1   0.687846D+01 -0.266655D+01  0.107955D+01 -0.406380D+01 -0.142020D+01
      2  -0.266655D+01  0.104395D+01 -0.695855D-01 -0.142020D+01  0.300914D+00
      3   0.107955D+01 -0.695855D-01  0.709211D+00 -0.236332D+00 -0.312434D+00
                51            52            53            54            55 
      1  -0.236332D+00  0.181193D+01  0.106807D+00  0.401289D+00 -0.151123D+02
      2  -0.312434D+00  0.106807D+00  0.338636D+00 -0.579342D+00  0.164409D+01
      3  -0.760149D+00  0.401289D+00 -0.579342D+00  0.886936D+00 -0.136561D+01
                56            57            58            59            60 
      1   0.164409D+01 -0.136561D+01  0.185093D+01 -0.227233D+01  0.124708D+00
      2  -0.388939D+01  0.176218D+00 -0.227233D+01  0.193482D+01 -0.337991D+00
      3   0.176218D+00 -0.241931D+01  0.124708D+00 -0.337991D+00  0.799250D+00
                61            62            63            64            65 
      1  -0.210790D+01  0.175298D-01 -0.346140D+01  0.528937D+01  0.154238D+01
      2   0.175298D-01 -0.817650D+00  0.547487D+00  0.154238D+01  0.470079D+01
      3  -0.346140D+01  0.547487D+00 -0.166954D+01  0.562911D+00  0.208834D-01
                66            67            68            69            70 
      1   0.562911D+00  0.764666D+00  0.379408D+01 -0.170225D+00  0.113097D+01
      2   0.208834D-01  0.379408D+01  0.178911D+01  0.447545D+00  0.461980D+00
      3   0.172903D+00 -0.170225D+00  0.447545D+00 -0.216720D+00  0.663130D+00
                71            72            73            74            75 
      1   0.461980D+00  0.663130D+00  0.267317D+01  0.163155D+01  0.239242D+00
      2   0.126551D+01  0.109482D+01  0.163155D+01  0.145061D+01 -0.239461D+00
      3   0.109482D+01  0.226108D+00  0.239242D+00 -0.239461D+00  0.773205D+00
                76            77            78            79            80 
      1   0.240158D+01 -0.162346D+01 -0.372707D+00  0.659868D+00  0.792352D-01
      2  -0.162346D+01  0.725379D+01  0.567829D-01  0.792352D-01  0.268504D+00
      3  -0.372707D+00  0.567829D-01  0.338723D+00 -0.196080D+00  0.119979D+01
                81            82            83            84            85 
      1  -0.196080D+00 -0.807288D+01 -0.142266D+01  0.376581D-01  0.574806D+00
      2   0.119979D+01 -0.142266D+01 -0.136080D+01  0.130439D+00 -0.367089D+00
      3   0.351012D+00  0.376581D-01  0.130439D+00 -0.110502D+00  0.235352D+00
                86            87            88            89            90 
      1  -0.367089D+00  0.235352D+00 -0.189359D+00  0.163695D+00  0.163438D+00
      2  -0.752684D+01  0.113730D+00  0.163695D+00 -0.185768D+00 -0.192783D+01
      3   0.113730D+00 -0.114775D+01  0.163438D+00 -0.192783D+01  0.125083D+00
                91            92            93            94            95 
      1  -0.160916D+01  0.136211D+00 -0.107530D+01  0.226689D+00  0.412506D+00
      2   0.136211D+00  0.827778D-02  0.543804D-01  0.412506D+00  0.710787D+00
      3  -0.107530D+01  0.543804D-01 -0.128444D+01 -0.769235D-01 -0.113535D+01
                96            97            98            99           100 
      1  -0.769235D-01 -0.147092D+01  0.309399D+00 -0.623355D+00  0.170085D+01
      2  -0.113535D+01  0.309399D+00 -0.188556D+01  0.669465D+00 -0.216245D+00
      3   0.571778D+00 -0.623355D+00  0.669465D+00 -0.782877D+01  0.115594D+01
               101           102           103           104           105 
      1  -0.216245D+00  0.115594D+01 -0.141539D+00 -0.340057D+00 -0.128281D-01
      2  -0.120174D+00 -0.409229D-01 -0.340057D+00  0.318345D+00  0.109748D+01
      3  -0.409229D-01  0.132814D+01 -0.128281D-01  0.109748D+01  0.266671D+00
               106           107           108           109           110 
      1   0.175523D+01  0.243041D+00  0.101606D+01  0.930342D+01 -0.452314D+00
      2   0.243041D+00  0.157555D+01  0.140481D+00 -0.452314D+00  0.133666D+01
      3   0.101606D+01  0.140481D+00  0.815855D+01 -0.109112D+00 -0.808621D-01
               111           112           113           114           115 
      1  -0.109112D+00 -0.267327D+00  0.342880D+00 -0.646092D-01  0.247117D+00
      2  -0.808621D-01  0.342880D+00 -0.165595D+01  0.905118D-01 -0.111007D+00
      3   0.344153D+00 -0.646092D-01  0.905118D-01 -0.503615D+00 -0.315353D-01
               116           117           118           119           120 
      1  -0.111007D+00 -0.315353D-01  0.199678D+01  0.129251D+01  0.821938D-02
      2   0.243069D+00 -0.506782D+00  0.129251D+01  0.771472D+00  0.474867D-01
      3  -0.506782D+00  0.109907D+00  0.821938D-02  0.474867D-01  0.675611D+00
               121           122           123           124           125 
      1   0.381548D+01  0.101389D+01  0.120373D+00 -0.146305D+00  0.333721D-01
      2   0.101389D+01  0.440813D+01 -0.397896D-01  0.333721D-01 -0.544226D-01
      3   0.120373D+00 -0.397896D-01  0.586799D+00  0.640689D+00  0.351981D+00
               126           127           128           129           130 
      1   0.640689D+00 -0.193419D+01  0.782586D+00 -0.105917D+00  0.194444D+01
      2   0.351981D+00  0.782586D+00 -0.249237D+01  0.242283D-02 -0.903166D+00
      3   0.914077D-01 -0.105917D+00  0.242283D-02 -0.248426D+00  0.223081D-01
               131           132           133           134           135 
      1  -0.903166D+00  0.223081D-01 -0.383172D+00  0.464877D-01  0.597706D-01
      2   0.614257D+01 -0.138893D+00  0.464877D-01 -0.532112D+00  0.838458D+00
      3  -0.138893D+00  0.106043D+01  0.597706D-01  0.838458D+00 -0.541183D-01
               136           137           138           139           140 
      1  -0.491610D+01  0.623600D+00 -0.495366D+00  0.619865D+00 -0.886833D+00
      2   0.623600D+00 -0.339061D+01  0.111133D+00 -0.886833D+00 -0.333128D+00
      3  -0.495366D+00  0.111133D+00 -0.117912D+01  0.986398D-01 -0.116156D+00
               141           142           143           144 
      1   0.986398D-01 -0.118591D+01  0.752971D-01 -0.611906D+00
      2  -0.116156D+00  0.752971D-01 -0.757293D+00  0.506446D+00
      3   0.262131D+00 -0.611906D+00  0.506446D+00 -0.478082D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.223056D-01 -0.576881D+00  0.109873D+01 -0.272172D+01  0.101595D+01
      2   0.129158D+01 -0.158297D+01 -0.537748D+01 -0.250578D+01 -0.405387D+00
      3   0.843545D-01 -0.451861D+01  0.825713D+00 -0.842038D+01 -0.611626D+01
                 6             7             8             9            10 
      1   0.809339D+01 -0.923087D+00  0.103492D+02 -0.196746D+01  0.513165D+00
      2   0.389294D+00 -0.137177D+02  0.298599D+01 -0.285149D+01 -0.237290D+00
      3   0.147210D+01  0.281309D+01  0.164273D+01 -0.185301D+01  0.826682D+01
                11            12            13            14            15 
      1   0.308404D+00 -0.719586D+00  0.387483D+00  0.141804D+01 -0.105265D+02
      2   0.263125D+00  0.342721D+01  0.200206D+00  0.596553D+00 -0.178685D+01
      3  -0.692934D+00 -0.703343D+00  0.187089D+02  0.173606D+02 -0.995592D+00
                16            17            18            19            20 
      1   0.141327D+01 -0.556935D+00  0.126471D+01  0.418613D+00 -0.387868D-01
      2  -0.267375D+01 -0.513687D+01  0.113676D+01  0.123784D+01  0.781063D-01
      3  -0.177910D+01 -0.545000D+00  0.519516D+01 -0.234674D+01 -0.844016D+01
                21            22            23            24            25 
      1  -0.224679D+00  0.479136D+00 -0.674877D+00 -0.244975D+01  0.173025D+01
      2   0.927021D+01  0.781738D+00  0.238401D+00 -0.151055D+01  0.497086D+01
      3  -0.181356D+00  0.731174D+00  0.150015D+02 -0.194303D+00 -0.898232D+00
                26            27            28            29            30 
      1   0.136241D+01  0.380247D+00  0.172368D+01  0.632139D+00  0.155699D+01
      2  -0.178680D+01  0.166074D+01 -0.190404D+01  0.100079D+00  0.239437D+01
      3  -0.132007D+01 -0.131455D+01 -0.763297D+00 -0.200858D+01 -0.154848D+00
                31            32            33            34            35 
      1   0.271473D+01  0.156010D+01 -0.167586D+01  0.944203D-01  0.181941D+01
      2   0.135886D+01 -0.172281D+00 -0.237500D+01 -0.317622D+01 -0.100352D+01
      3   0.613428D+01  0.122398D+01 -0.463986D+00  0.917655D-01 -0.104420D+01
                36            37            38            39            40 
      1  -0.420206D+00 -0.184587D+01  0.161500D+01 -0.155553D+01  0.949372D+00
      2   0.281771D+01  0.270354D+00 -0.252696D+00  0.264753D+01 -0.101403D+01
      3   0.114173D+01  0.123517D+01 -0.135969D+01  0.452103D+00  0.683982D+01
                41            42            43            44            45 
      1  -0.545092D+00 -0.153083D+01 -0.487187D-01  0.212206D+01  0.854560D+00
      2  -0.422883D+00  0.201368D+01 -0.330309D+01 -0.537333D+00  0.303974D+01
      3   0.185369D+01  0.330273D+00  0.195487D+00 -0.574690D+00 -0.556085D+00
                46            47            48            49            50 
      1   0.759034D+00 -0.440304D+01 -0.720402D+00 -0.284951D+01 -0.111178D+01
      2   0.276934D+01  0.200234D+01 -0.885908D+01  0.194651D+01  0.803715D+00
      3  -0.632999D+01  0.713755D+01 -0.114100D+01  0.252273D+01 -0.395358D+01
                51            52            53            54            55 
      1   0.599660D+01  0.241717D+01  0.129479D+02  0.106353D+01 -0.101054D+01
      2   0.161356D+01 -0.132946D+02 -0.263104D+01 -0.528663D+01  0.118002D+01
      3   0.128979D+01 -0.109220D+01  0.521082D+01 -0.804960D+00  0.966966D+01
                56            57            58            59            60 
      1   0.207214D+01  0.103488D+00  0.788663D+00 -0.474110D+00 -0.348826D+01
      2  -0.692063D+00  0.142442D+02 -0.790484D+00  0.829899D+00 -0.151710D+01
      3  -0.203311D+02  0.109890D+01 -0.266932D+01  0.899013D+01 -0.983941D+00
                61            62            63            64            65 
      1  -0.270650D+01  0.137828D+01 -0.102156D+01 -0.868026D+00 -0.233959D+00
      2   0.510973D+01  0.110445D+01  0.488796D+01  0.769953D+00  0.501582D+00
      3   0.793174D+00 -0.435352D+01  0.311181D+01  0.116755D+02 -0.109276D+02
                66            67            68            69            70 
      1  -0.247268D+01 -0.705200D+00 -0.250735D+01 -0.401938D+01 -0.131457D+01
      2   0.388693D+01 -0.791318D+00  0.371181D+00  0.186519D+01 -0.144359D+01
      3   0.540041D+00 -0.370004D+01  0.488132D+01 -0.381959D+00  0.243222D+01
                71            72            73            74            75 
      1   0.301815D+01 -0.176010D+01 -0.153139D+01 -0.760731D+00 -0.201022D+00
      2   0.132295D+01  0.968033D+00  0.198801D+00 -0.551196D+00  0.201611D+01
      3  -0.145505D+01 -0.232932D+00  0.135798D+02  0.760871D+01  0.148093D+01
                76            77            78            79            80 
      1  -0.646109D+00  0.193362D+01 -0.617897D+01 -0.649158D-01  0.104956D+01
      2   0.606659D+00  0.167979D+00 -0.212205D+01 -0.295832D+01 -0.105407D+00
      3   0.936875D+01  0.845294D+01 -0.197785D-01  0.228754D+01  0.188089D+01
                81            82            83            84            85 
      1   0.495809D+00  0.378864D+00  0.827403D+00 -0.732559D+00 -0.442970D+00
      2  -0.131658D+00  0.399238D+00 -0.353949D+00  0.367388D+01 -0.332803D+00
      3   0.128417D+01  0.226076D+02 -0.574450D+01 -0.687079D-01  0.579491D+01
                86            87            88            89            90 
      1  -0.854249D+00 -0.771295D+01 -0.172130D+01 -0.235031D+01 -0.265820D+00
      2  -0.204431D+00  0.405613D+00 -0.112105D+01  0.388296D+01  0.433159D+00
      3  -0.839926D+01  0.548124D-01  0.112698D+01 -0.144852D+01 -0.327676D+01
                91            92            93            94            95 
      1   0.737329D-01  0.286580D+00  0.668341D+00  0.435444D+00 -0.703687D+00
      2  -0.190959D+01  0.801314D-01 -0.228780D+00  0.445256D-02 -0.812243D+00
      3  -0.105467D+01 -0.436000D+00 -0.494510D+00  0.865637D+00 -0.479437D+00
                96            97            98            99           100 
      1   0.404923D-01  0.201415D+00  0.302672D+01  0.255351D+01 -0.230602D+00
      2   0.110901D+00 -0.347970D+01  0.441586D+00 -0.438430D+01 -0.198244D+01
      3   0.662202D+00 -0.103509D+01  0.140494D+01 -0.950266D+00  0.651853D+00
               101           102           103           104           105 
      1   0.353675D+00 -0.655390D+00  0.190477D+00 -0.142245D+00  0.736046D-01
      2  -0.165086D+00 -0.263480D+00  0.149736D+00 -0.578694D+00 -0.813679D-01
      3  -0.877499D+00  0.501846D+00  0.672109D+00 -0.222591D+00  0.681101D+00
               106           107           108           109           110 
      1  -0.382057D+00  0.290026D+01 -0.299404D+01 -0.725214D+00 -0.573841D-01
      2  -0.398205D+01  0.491660D-01 -0.456379D+01 -0.845218D+00  0.140409D+00
      3   0.688682D+00  0.795466D+00  0.336424D+00 -0.288428D+02  0.764224D+01
               111           112           113           114           115 
      1   0.104127D+01 -0.552910D-01  0.519736D-01 -0.515574D+00  0.191302D+00
      2  -0.296058D+01  0.141837D+00 -0.273653D+00  0.354128D+00 -0.295998D+01
      3   0.347467D+00  0.367104D+01 -0.201660D+01  0.209171D+00 -0.929546D+00
               116           117           118           119           120 
      1   0.527499D+00  0.148614D+00  0.272635D+00 -0.174132D+00 -0.856624D+00
      2   0.446275D+00  0.491743D-01  0.477040D-01 -0.113567D+00  0.100890D+01
      3   0.507744D+00 -0.219731D+00 -0.426817D+01 -0.152530D+01 -0.135721D+00
               121           122           123           124           125 
      1  -0.393719D-01  0.699115D+00  0.132868D+00  0.209808D+00  0.128819D+01
      2   0.815237D-01  0.941421D-01  0.275446D+01  0.288778D+00  0.155430D+01
      3  -0.203506D+01 -0.200995D+02 -0.472217D-01  0.161965D-01  0.434268D+00
               126           127           128           129           130 
      1   0.503221D-01  0.109353D+00 -0.767984D-01  0.985176D+00 -0.183943D+00
      2   0.600295D-01 -0.485014D+00  0.136153D+00 -0.623474D+00  0.309227D+00
      3  -0.964679D+00 -0.103280D+02  0.602176D+01 -0.227475D+00  0.838277D+01
               131           132           133           134           135 
      1   0.212918D+00 -0.252990D+01 -0.729216D-01 -0.882167D+00  0.115939D+00
      2  -0.295387D+00  0.790191D+00 -0.134042D+01  0.780910D+00  0.145397D+00
      3  -0.116777D+02  0.178524D+00 -0.142079D+01  0.759750D+00 -0.773211D+00
               136           137           138           139           140 
      1   0.198486D+01  0.226370D+00  0.268447D+01  0.491227D+00  0.584698D+00
      2   0.406352D+00 -0.534316D-01  0.211623D+01 -0.146336D+00  0.630891D-01
      3  -0.140926D+02 -0.102313D+02 -0.167688D+01 -0.370512D+01 -0.454313D+01
               141           142           143           144 
      1  -0.816098D-01  0.123209D+01  0.682790D+00  0.103879D+01
      2  -0.904108D+00 -0.811323D-01 -0.162378D+01  0.812325D+00
      3  -0.584349D+00 -0.329020D+01 -0.189557D+01 -0.123105D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.222894D+02  0.378377D+01 -0.243809D+00  0.241151D+01  0.246556D+02
      2   0.126910D+02 -0.609592D+01  0.128356D+01 -0.412798D+00 -0.311958D+02
      3   0.959833D+01  0.231215D+01 -0.103975D+01 -0.199871D+01  0.654022D+01
      4  -0.388420D+01 -0.170734D+00  0.192295D+00 -0.366107D+01  0.874014D+01
      5  -0.914955D+00 -0.523516D+00 -0.840115D+01 -0.101166D+00  0.149815D+00
      6  -0.284426D+00  0.433431D+00 -0.355649D+01  0.887570D+00 -0.114067D+01
                 6             7             8             9            10 
      1  -0.956268D+00 -0.467179D+01 -0.253069D+01 -0.364092D+01 -0.338863D+01
      2  -0.209999D+00  0.343049D+01  0.252620D+01 -0.692686D+01  0.645991D+01
      3   0.116627D+01  0.124130D+01  0.449320D-02  0.105678D+02 -0.307129D+01
      4  -0.454686D+00  0.204132D+01 -0.152550D+01  0.410663D+00 -0.208334D+01
      5  -0.176022D+01  0.376812D+01  0.178895D+01 -0.315598D+01  0.367134D+00
      6  -0.956557D+01 -0.619661D+00  0.221934D+01  0.178720D+01 -0.319575D+00
                11            12            13            14            15 
      1  -0.917928D+01  0.242682D+00 -0.152037D+02 -0.365161D+02  0.654950D-01
      2   0.827776D+01 -0.288726D+00  0.950532D+01  0.530891D+02 -0.724975D-01
      3   0.901523D+00  0.460448D-01  0.569839D+01 -0.165730D+02  0.700243D-02
      4   0.152212D+02 -0.643543D+00  0.142459D+02 -0.257935D+02  0.498858D+00
      5  -0.106887D+00  0.536293D+01  0.709783D-01 -0.123781D+00 -0.364797D+01
      6  -0.352597D-02  0.163485D+01 -0.995031D+00  0.114739D+01  0.160151D+02
                16            17            18            19            20 
      1   0.851060D+00  0.153382D+01 -0.101385D+02  0.656134D+02 -0.165502D+01
      2  -0.112064D+01 -0.135098D+01  0.733811D+01 -0.392789D+02  0.113016D+01
      3   0.269581D+00 -0.182841D+00  0.280041D+01 -0.263346D+02  0.524861D+00
      4  -0.643737D+00  0.376031D+00 -0.683153D+01 -0.357006D+01  0.102080D+02
      5   0.294053D+01 -0.819206D+01  0.113723D+01  0.111475D+01  0.584310D+00
      6   0.113216D+01  0.140245D+02 -0.147262D+01  0.625844D+00 -0.201078D+00
                21            22            23            24            25 
      1   0.127305D+01 -0.106372D+02  0.251690D+01  0.206821D-01  0.418314D+01
      2  -0.799403D+00  0.539859D+01  0.598565D+00  0.221713D+00 -0.322381D+01
      3  -0.473647D+00  0.523864D+01 -0.311547D+01 -0.242395D+00 -0.959325D+00
      4   0.413988D+00  0.113167D+02 -0.171847D+02  0.860059D+00 -0.352988D-01
      5   0.176186D+02 -0.730455D-02  0.669310D+00 -0.127872D+01  0.189387D+02
      6   0.253737D+00  0.379838D+00 -0.236309D+00  0.441559D+01 -0.194880D+01
                26            27            28            29            30 
      1   0.692583D+00  0.100540D+02 -0.794704D+00  0.379736D+01  0.221516D+01
      2   0.152787D+00 -0.104564D+02  0.894281D+00 -0.915035D+01  0.219797D+01
      3  -0.845370D+00  0.402415D+00 -0.995763D-01  0.535298D+01 -0.441313D+01
      4   0.792869D+00 -0.169874D+01 -0.455495D+01 -0.505806D+01 -0.138363D+01
      5   0.541837D+00  0.311080D+01 -0.213563D+01 -0.352595D-01 -0.422703D+00
      6   0.348181D+01 -0.530613D+00  0.918216D+00 -0.170799D+01 -0.625724D+00
                31            32            33            34            35 
      1  -0.275269D+01 -0.139164D+01  0.108880D+01  0.968537D+00 -0.236282D+01
      2  -0.253189D+01 -0.290884D+01 -0.680297D+00  0.173468D+01 -0.407879D+01
      3   0.528458D+01  0.430048D+01 -0.408506D+00 -0.270322D+01  0.644161D+01
      4  -0.957466D+01 -0.118482D+02  0.434965D+00 -0.584862D+01 -0.126143D+00
      5  -0.303027D+00 -0.577160D+00 -0.281803D+01  0.159721D+01  0.740445D+00
      6   0.226679D+00 -0.129474D+00 -0.250888D+01  0.287810D+01 -0.231251D+00
                36            37            38            39            40 
      1   0.100155D+02  0.238155D+01 -0.471352D+01  0.339976D+01  0.342922D+01
      2   0.775280D+01 -0.180204D+01  0.748743D+01  0.150851D+01  0.525681D+00
      3  -0.177683D+02 -0.579509D+00 -0.277391D+01 -0.490827D+01 -0.395490D+01
      4   0.157021D+01  0.230286D+01 -0.434810D+01  0.157907D+00 -0.846316D+01
      5   0.267787D+01  0.130050D+00 -0.602973D+00  0.782246D-01  0.610570D+00
      6   0.789304D+01 -0.115199D+01 -0.123054D+00  0.209277D+01  0.168994D+01
                41            42            43            44            45 
      1  -0.329159D+00 -0.128701D+01  0.527633D+01  0.121675D+01  0.111442D+02
      2  -0.591892D+01 -0.120521D+01  0.800144D+00  0.162761D+01  0.814277D+01
      3   0.624808D+01  0.249222D+01 -0.607647D+01 -0.284436D+01 -0.192869D+02
      4   0.585081D+01  0.557186D+00  0.297222D+01 -0.995255D+00 -0.317266D+01
      5  -0.397855D+00  0.257692D+01  0.127178D+01 -0.154280D+01  0.269221D+01
      6  -0.381062D+00 -0.201261D+01 -0.307104D+01  0.162054D+01 -0.717793D+01
                46            47            48            49            50 
      1  -0.487558D+02  0.443282D+01 -0.235752D+01  0.160710D+02  0.152001D+02
      2   0.308333D+02  0.101304D+00  0.538664D+01 -0.111533D+02 -0.185755D+02
      3   0.179225D+02 -0.453412D+01 -0.302912D+01 -0.491772D+01  0.337544D+01
      4   0.592320D+01 -0.123219D+02  0.899936D-01  0.322042D+01  0.252164D+01
      5  -0.579390D+01  0.106623D+01 -0.133406D+02  0.213675D+01  0.145429D+01
      6  -0.377335D+00 -0.557327D+00  0.294893D+01  0.178508D+01  0.156039D+01
                51            52            53            54            55 
      1   0.711520D+00 -0.107232D+02  0.175878D+01 -0.847079D+01  0.989599D+02
      2  -0.386238D+00  0.795950D+01  0.221220D+00 -0.254992D+01 -0.594085D+02
      3  -0.325282D+00  0.276370D+01 -0.198000D+01  0.110207D+02 -0.395513D+02
      4   0.176383D+01  0.588796D+00 -0.295454D+01  0.131023D+01 -0.240836D+01
      5   0.481667D+01  0.103637D+01  0.516017D+00 -0.699535D+01  0.814175D+01
      6  -0.860876D+01 -0.713492D+00  0.228040D+01 -0.569983D+00  0.215513D+00
                56            57            58            59            60 
      1  -0.894209D+01  0.555975D+01 -0.953667D+01  0.790467D+01 -0.559701D+00
      2   0.686117D+01 -0.561853D+01  0.723382D+01 -0.860740D+00  0.719135D+00
      3   0.208093D+01  0.587774D-01  0.230286D+01 -0.704393D+01 -0.159434D+00
      4   0.245827D+02 -0.491674D+00  0.177823D+02 -0.612064D+01  0.212396D+01
      5  -0.132217D+01  0.245686D+02 -0.967770D+00  0.184030D+01 -0.381027D+01
      6   0.547744D+00 -0.367100D+00  0.930964D+00  0.268384D+00  0.559395D+01
                61            62            63            64            65 
      1   0.925567D+01 -0.137532D+01  0.152904D+02  0.137759D+02 -0.106259D+02
      2  -0.806672D+01  0.564796D+00 -0.145934D+02 -0.558760D+01  0.197405D+02
      3  -0.118895D+01  0.810523D+00 -0.696998D+00 -0.818834D+01 -0.911460D+01
      4  -0.100222D+01  0.414401D+01 -0.537283D+00  0.155526D+02  0.176893D+02
      5   0.254367D+02 -0.222406D+01  0.108410D+02  0.132854D+01  0.119676D+00
      6   0.244940D+01  0.405665D+01  0.102258D+01  0.145110D+01 -0.426258D+00
                66            67            68            69            70 
      1   0.542125D+00 -0.633647D+01  0.345270D+01 -0.289155D+01  0.248659D+01
      2  -0.182555D+01  0.121509D+02  0.349965D+01  0.827089D+00 -0.965250D+00
      3   0.128342D+01 -0.581438D+01 -0.695235D+01  0.206447D+01 -0.152134D+01
      4   0.151084D+01  0.169846D+02  0.186746D+02  0.944401D+00  0.478852D+01
      5   0.715827D+01 -0.612696D-01  0.109724D+01  0.345757D+01  0.625315D+01
      6   0.347283D+01 -0.948724D+00  0.259877D+01  0.710348D+01  0.381929D+01
                71            72            73            74            75 
      1  -0.215833D+01 -0.325240D+01 -0.538208D+01 -0.277532D+01 -0.213346D+01
      2   0.555252D+01 -0.147720D+01  0.591782D+01  0.719541D+00 -0.684988D+00
      3  -0.339418D+01  0.472960D+01 -0.535740D+00  0.205578D+01  0.281845D+01
      4   0.394499D+01  0.470178D+01  0.369172D+01  0.188054D+01  0.181665D+01
      5   0.336711D+01  0.148777D+01 -0.159018D+01  0.583755D+00  0.439500D+01
      6   0.717739D+01  0.241181D+01  0.196271D+01 -0.618699D+00  0.139934D+00
                76            77            78            79            80 
      1  -0.208331D+01 -0.191018D+02  0.177226D+01 -0.105496D+01 -0.104570D+01
      2  -0.258361D+01  0.326049D+02  0.925067D+00  0.108353D+01 -0.893268D+00
      3   0.466692D+01 -0.135030D+02 -0.269733D+01 -0.285674D-01  0.193897D+01
      4   0.154867D+02 -0.237895D+02 -0.717365D+00  0.129253D+01 -0.251091D+00
      5   0.103475D+00 -0.660932D+00 -0.442507D+01  0.374081D+01 -0.300226D+01
      6  -0.168600D+01  0.613595D+00  0.101636D+02 -0.142742D+01  0.822300D+01
                81            82            83            84            85 
      1  -0.585658D+01  0.105158D+02  0.365326D+01  0.341757D+00 -0.184876D+01
      2   0.151952D+01 -0.302909D+01 -0.158979D+01 -0.577414D+00  0.220690D+01
      3   0.433706D+01 -0.748673D+01 -0.206347D+01  0.235657D+00 -0.358144D+00
      4  -0.316082D+01  0.199502D+02  0.201773D+02 -0.743131D+00  0.859880D+01
      5  -0.315473D+00  0.190989D+00 -0.732383D+00  0.684917D+01 -0.118647D+01
      6   0.405453D+00  0.292689D+00 -0.267016D+00  0.143295D+00 -0.158882D+01
                86            87            88            89            90 
      1  -0.249411D+02  0.463191D+00  0.963405D-01 -0.618769D+00 -0.812464D+01
      2   0.382448D+02 -0.335550D+00 -0.109836D+01  0.233493D+00  0.478235D+01
      3  -0.133037D+02 -0.127641D+00  0.100202D+01  0.385276D+00  0.334228D+01
      4   0.191422D+02 -0.135583D+01 -0.246210D+00  0.248874D+00  0.613224D+01
      5  -0.188815D+01  0.172297D+01  0.399121D+01  0.657907D+01 -0.312897D+00
      6  -0.225261D+01  0.141001D+02 -0.266333D+00  0.125980D+02 -0.744404D+00
                91            92            93            94            95 
      1  -0.186146D+01 -0.788388D-01 -0.312648D+01 -0.128569D+00 -0.320288D+01
      2  -0.272648D+01  0.427021D+00 -0.105067D+01 -0.942024D-01  0.364269D+00
      3   0.458794D+01 -0.348182D+00  0.417715D+01  0.222771D+00  0.283861D+01
      4  -0.764483D+00  0.181001D+01 -0.142128D+01  0.256223D+01  0.116546D+01
      5   0.270480D+00 -0.646784D+00  0.466999D+01 -0.183200D+00 -0.622030D+00
      6  -0.182012D+01  0.772514D+00 -0.171824D+01  0.332294D+00 -0.207201D+01
                96            97            98            99           100 
      1   0.180568D+01 -0.364201D+01  0.332573D+01 -0.188091D+02 -0.245878D+01
      2  -0.131381D+01 -0.873571D+00 -0.106513D+01 -0.143776D+02 -0.251584D+01
      3  -0.491876D+00  0.451558D+01 -0.226060D+01  0.331867D+02  0.497462D+01
      4  -0.127926D+01 -0.936799D+00 -0.265713D+01 -0.103678D-01  0.118386D+01
      5   0.425072D+00  0.381098D+01  0.308044D+00 -0.562892D+01  0.288489D+00
      6   0.612448D+01 -0.897158D+00  0.532752D+01 -0.991622D+01  0.155040D+01
               101           102           103           104           105 
      1   0.537119D+00 -0.339914D+01  0.552164D+00 -0.284697D+01 -0.118039D+01
      2  -0.427873D+00 -0.102751D+01 -0.170672D-01 -0.172404D+00  0.190812D+01
      3  -0.109246D+00  0.442665D+01 -0.535096D+00  0.301938D+01 -0.727731D+00
      4   0.218612D+01  0.130030D+01  0.232339D+01 -0.242536D+00 -0.125036D+01
      5   0.350461D+00  0.496178D+01 -0.151019D+00 -0.507114D+00 -0.158008D+00
      6   0.624701D+00  0.141766D+01  0.653449D+00  0.134723D+01  0.593146D+01
               106           107           108           109           110 
      1  -0.536511D+01 -0.211463D+01 -0.205181D+02 -0.121030D+02  0.374532D+01
      2  -0.912039D+00  0.224772D+01 -0.147536D+02  0.615351D+01 -0.455458D+01
      3   0.627715D+01 -0.133093D+00  0.352717D+02  0.594951D+01  0.809267D+00
      4   0.132715D+01 -0.230887D+01  0.860869D+00 -0.171092D+02 -0.126053D+02
      5   0.390535D+01 -0.557298D-01 -0.554638D+01 -0.485170D+00  0.411944D+00
      6   0.120886D+01  0.481165D+01  0.876720D+01 -0.435912D+00  0.347013D+00
               111           112           113           114           115 
      1  -0.445314D+00  0.158351D+01 -0.542646D+01  0.358699D+00  0.113357D+00
      2   0.517661D-02 -0.148543D+01  0.751461D+01 -0.309394D+00  0.129554D-01
      3   0.440137D+00 -0.980807D-01 -0.208816D+01 -0.493054D-01 -0.126312D+00
      4   0.444604D+00  0.471250D+00  0.136270D+01  0.875442D-01 -0.288097D+00
      5  -0.546001D+01  0.417272D-01 -0.259829D+00  0.599713D+00  0.329845D+00
      6  -0.129977D+01  0.256078D+00 -0.437615D+00  0.156079D+01 -0.158582D+00
               116           117           118           119           120 
      1   0.731236D+00 -0.202955D+01  0.972874D+01  0.660922D+01  0.493673D-01
      2  -0.685722D+00  0.555010D+00 -0.428935D+01 -0.296421D+01  0.887965D-01
      3  -0.455144D-01  0.147454D+01 -0.543939D+01 -0.364501D+01 -0.138164D+00
      4   0.169354D+00  0.355750D+00  0.770338D+01  0.581276D+01  0.312436D-01
      5   0.654702D+00  0.208210D+00 -0.169876D+00  0.810847D-01  0.244296D+01
      6   0.241803D+01 -0.413058D+00  0.806077D-03  0.395988D-01  0.128241D+01
               121           122           123           124           125 
      1   0.206883D+02  0.475109D+01  0.634407D+00 -0.767533D+00  0.712257D-01
      2  -0.120429D+02 -0.166058D+01 -0.566891D+00  0.390159D+00 -0.249443D+00
      3  -0.864541D+01 -0.309051D+01 -0.675160D-01  0.377374D+00  0.178217D+00
      4   0.709134D+01  0.220958D+02 -0.100945D+00 -0.331719D-01 -0.193107D+00
      5   0.559503D+00 -0.276077D+00  0.439445D+01  0.415904D+01  0.251671D+01
      6   0.937369D-01  0.379050D+00 -0.237805D+00  0.681367D+00  0.150146D+01
               126           127           128           129           130 
      1   0.161763D+01 -0.438451D+01  0.932397D+01 -0.696237D+00  0.711459D+01
      2  -0.178921D+01  0.465557D+01 -0.126047D+02  0.295016D+00 -0.669537D+01
      3   0.171585D+00 -0.271059D+00  0.328070D+01  0.401221D+00 -0.419214D+00
      4   0.258245D+01 -0.448043D+01 -0.108290D+01 -0.359476D+00  0.350134D+01
      5   0.259237D+00 -0.175493D+00  0.106528D+00 -0.999086D+00  0.735060D-01
      6   0.720736D-01 -0.873039D+00  0.105602D+01 -0.128422D+01  0.120126D+00
               131           132           133           134           135 
      1  -0.207270D+02  0.699519D+00 -0.448002D+00  0.189156D+01 -0.319057D+01
      2   0.310199D+02 -0.928304D+00  0.504242D+00 -0.223142D+01  0.310073D+01
      3  -0.102929D+02  0.228785D+00 -0.562394D-01  0.339856D+00  0.898421D-01
      4   0.710229D+01 -0.312739D+00 -0.698592D+00 -0.661337D+00  0.686377D+00
      5  -0.635923D+00  0.168300D+01  0.903611D+00  0.875565D+00  0.338061D+00
      6  -0.176660D+01  0.433469D+01 -0.394013D+00  0.530652D+01 -0.588423D+00
               136           137           138           139           140 
      1   0.155298D+02  0.276643D+01  0.199853D+01 -0.366251D+01  0.442854D+01
      2  -0.651105D+01 -0.769712D+01 -0.502988D+00  0.674658D+00 -0.249580D+01
      3  -0.901874D+01  0.493069D+01 -0.149554D+01  0.298785D+01 -0.193274D+01
      4  -0.169433D+02  0.133794D+02 -0.184231D+01  0.442894D+01 -0.116693D+01
      5   0.184819D+01 -0.261242D+00  0.326272D+01 -0.635275D+00  0.737896D+00
      6  -0.175488D+01  0.839285D-01 -0.453489D+01  0.277990D+00 -0.425676D+00
               141           142           143           144 
      1  -0.127184D+00  0.183147D+01  0.160273D+01  0.746290D+00
      2   0.170758D+00 -0.126541D+01 -0.195344D+01 -0.143023D+01
      3  -0.435736D-01 -0.566065D+00  0.350710D+00  0.683939D+00
      4   0.615552D+00 -0.327780D+01  0.199684D+01 -0.319918D+01
      5  -0.177810D+01  0.423171D+01 -0.236205D+01  0.161777D+01
      6   0.335143D+00 -0.216319D+01  0.254488D+01 -0.187333D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.101689D+01      0.258468D+01      0.862157D+01
   y          0.118413D+01      0.300975D+01      0.100394D+02
   z         -0.938804D-01     -0.238620D+00     -0.795952D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.817975D+02      0.121211D+02      0.134866D+02
   yx         0.485171D+00      0.718949D-01      0.799938D-01
   yy         0.724905D+02      0.107420D+02      0.119521D+02
   zx         0.231744D+01      0.343409D+00      0.382094D+00
   zy        -0.928608D+00     -0.137605D+00     -0.153107D+00
   zz         0.474490D+02      0.703122D+01      0.782329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.721401D+02      0.106901D+02      0.118943D+02
   aniso      0.304533D+02      0.451271D+01      0.502106D+01
   xx         0.863151D+02      0.127906D+02      0.142314D+02
   yx         0.509482D+00      0.754975D-01      0.840023D-01
   yy         0.773604D+02      0.114636D+02      0.127550D+02
   zx         0.241517D+01      0.357891D+00      0.398207D+00
   zy        -0.927232D+00     -0.137402D+00     -0.152880D+00
   zz         0.527447D+02      0.781596D+01      0.869643D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.36613705         -1.93231799          1.06411086
     8          3.00072679         -2.52661013         -1.05307819
     8          3.23434426         -3.14809118          3.06439376
     6          0.57953831          0.25315521          1.64440423
     6         -1.74053337          0.54815162         -0.07722782
     6         -1.33701404          1.28257180         -2.87418922
     8         -2.57050826          3.01472731         -3.70610856
     8         -0.29014366         -0.16379782          4.16270315
     8         -3.17544312          2.49464004          1.07212425
     8          0.24842355         -0.02655414         -4.26499645
     1          1.61570088          2.04863596          1.64290003
     1         -2.86860962         -1.18682636          0.06026479
     1          1.32614180         -1.15806300         -3.21385684
     1          2.37538208         -2.48111987          4.55567432
     1         -1.53344592          1.12583451          4.52766959
     1         -3.70314660          3.58767736         -0.31555838

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.156366D+01      0.397443D+01      0.132573D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.621454D+02      0.920900D+01      0.102464D+02
   yx        -0.150861D+02     -0.223553D+01     -0.248736D+01
   yy         0.628739D+02      0.931696D+01      0.103665D+02
   zx         0.175982D+01      0.260778D+00      0.290155D+00
   zy        -0.489331D+01     -0.725114D+00     -0.806798D+00
   zz         0.767178D+02      0.113684D+02      0.126491D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.721401D+02      0.106901D+02      0.118943D+02
   aniso      0.304533D+02      0.451271D+01      0.502106D+01
   xx         0.670058D+02      0.992923D+01      0.110478D+02
   yx        -0.147702D+02     -0.218871D+01     -0.243527D+01
   yy         0.679581D+02      0.100704D+02      0.112048D+02
   zx         0.160705D+01      0.238140D+00      0.264967D+00
   zy        -0.480326D+01     -0.711769D+00     -0.791950D+00
   zz         0.814564D+02      0.120706D+02      0.134303D+02

 ----------------------------------------------------------------------
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 IF GOD HAD MEANT MAN TO SEE THE SUN RISE, HE
 WOULD HAVE SCHEDULED IT FOR A LATER HOUR.
 Job cpu time:       0 days  1 hours 51 minutes 36.3 seconds.
 Elapsed time:       0 days  0 hours  7 minutes  0.3 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 17:07:32 2021.
